Solid-G is a PC program that allows facile computation of ligand solid angles in organometallic compounds. The solid angles are converted to percentages (G-values) that illustrate the extent to which each ligand shields the central metal. Three figures on the right illustrate the program’s capability. The top figure is a scheme of a five-coordinate complex methanol(phthalocyaninato)magnesium(II) and the animated GIF below represents the steric behavior of the two ligands (monodentate methanol and tetradentate phthalocyaninato) – each ligand and its shadow are assigned a color. The bottom figure demonstrates that Solid-G can handle quite complex compounds with many ligands and measure steric interaction between the ligands.

The program is free to use (at your own risk), but the paper by I.A.Guzei, M. Wendt.  Dalton Trans., 2006, 3991–3999 must be referenced.

The principles implemented in the program are described in I.A.Guzei, M. Wendt.  Dalton Trans., 2006, 3991–3999.

Program Solid-G has been referenced in at least 115 papers as of August 5, 2019. These references are listed at the bottom of this page.

Program download and installation instructions

The zip file contains all the files you need.

Create a
directory and extract all the files into it.  Then run Solid-G.exe.  The instructions on how to use the program (quite simple really) are displayed via the “Manual” button.

The file with extension .xyz is an example input file.

You can open the xyz file and then go from one activated button to the next.  The blue progress bar can sometimes get stuck but the calculations will continue regardless.  In my experience the program has never hung during normal operation.  The input coordinates should be Cartesian rather than fractional.

If you want a smooth picture in the visualizer (Start Viewer button) use
view->define bound sphere->granularity
and set it to a multiple of 180.  900 works well. Then you can copy and paste pictures into other programs.

Should you have questions don’t hesitate to e-mail Dr. Ilia Guzei.

Solid-G rotation
Solid-G visualization

This is an accordion element with a series of buttons that open and close related content panels.

Solid-G citations - 137 papers as of April 4, 2020

1. Tatebe, C. J.; Matson, E. M.; Clark, C. L.; Kiernicki, J. J.; Fanwick, P. E.; Zeller, M.; Bart, S. C., Low- and Mid-Valent Uranium Species Supported by Phenyltris(oxazolinyl)borate Ligands. Organometallics 2020, 39 (2), 353-360.
2. Sokolov, V. G.; Koptseva, T. S.; Rumyantcev, R. V.; Yang, X.-J.; Zhao, Y.; Fedushkin, I. L., Reactivity of Aluminum Complexes of Redox-Active Ligand toward N-Heterocyclic Carbene and Its Thione. Organometallics 2020, 39 (1), 66-73.
3. Moehring, S. A.; Miehlich, M.; Hoerger, C. J.; Meyer, K.; Ziller, J. W.; Evans, W. J., A Room-Temperature Stable Y(II) Aryloxide: Using Steric Saturation to Kinetically Stabilize Y(II) Complexes. Inorg. Chem. 2020, 59 (5), 3207-3214.
4. Koby, R. F.; Doerr, A. M.; Rightmire, N. R.; Schley, N. D.; Long, B. K.; Hanusa, T. P., An η3-Bound Allyl Ligand on Magnesium in a Mechanochemically Generated Mg/K Allyl Complex. Angew. Chem., Int. Ed. 2020, Ahead of Print.
5. Zulu, S.; Alam, M. G.; Ojwach, S. O.; Akerman, M. P., Structural and theoretical studies of the methoxycarbonylation of higher olefins catalysed by (Pyrazolyl-ethyl)pyridine palladium (II) complexes. Appl. Organomet. Chem. 2019, 33 (11), e5175.
6. Selikhov, A. N.; Plankin, G. S.; Cherkasov, A. V.; Shavyrin, A. S.; Louyriac, E.; Maron, L.; Trifonov, A. A., Thermally Stable Ln(II) and Ca(II) Bis(benzhydryl) Complexes: Excellent Precatalysts for Intermolecular Hydrophosphination of C-C Multiple Bonds. Inorg. Chem. 2019, 58 (8), 5325-5334.
7. Reinig, R. R.; Ellern, A.; Sadow, A. D., Heteroleptic Four-Coordinate Tris(oxazolinyl)borato Iron(II) Compounds. Inorg. Chem. 2019, 58 (9), 6044-6051.
8. Parker, G. L.; Lau, S.; Leforestier, B.; Chaplin, A. B., Probing the Donor Properties of Pincer Ligands Using Rhodium Carbonyl Fragments: An Experimental and Computational Case Study. Eur. J. Inorg. Chem. 2019, 2019 (33), 3791-3798.
9. Moehring, S. A.; Ziller, J. W.; Evans, W. J., Rare-earth complexes of the asymmetric amide ligands, N(SiMe3)Ph and N(SiMe3)Cy. Polyhedron 2019, 168, 72-79.
10. Miles-Hobbs, A. M.; Hunt, E.; Pringle, P. G.; Sparkes, H. A., Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3. Dalton Trans. 2019, 48 (26), 9712-9724.
11. Meng, X.; Li, J.; Zuo, Y.; Hu, C.; Su, Z., Theoretical Study on Asymmetric [2 + 2] Cycloaddition of an Alkynone with a Cyclic Enol Silyl Ether Catalyzed by a Chiral N,N’-Dioxide-Zn(II) Complex. Organometallics 2019, 38 (16), 3111-3123.
12. Marin, M.; Moreno, J. J.; Alcaide, M. M.; Alvarez, E.; Lopez-Serrano, J.; Campos, J.; Nicasio, M. C.; Carmona, E., Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands. J. Organomet. Chem. 2019, 896, 120-128.
13. Leverett, A. R.; Cole, M. L.; McKay, A. I., An exceptionally stable NHC complex of indane (InH3). Dalton Trans. 2019, 48 (5), 1591-1594.
14. Lapointe, S.; Khaskin, E.; Fayzullin, R. R.; Khusnutdinova, J. R., Stable Nickel(I) Complexes with Electron-Rich, Sterically-Hindered, Innocent PNP Pincer Ligands. Organometallics 2019, Ahead of Print.
15. Kiernicki, J. J.; Zeller, M.; Szymczak, N. K., Requirements for Lewis Acid-Mediated Capture and N-N Bond Cleavage of Hydrazine at Iron. Inorg. Chem. 2019, 58 (2), 1147-1154.
16. Jover, J.; Cirera, J., Computational assessment on the Tolman cone angles for P-ligands. Dalton Trans. 2019, 48 (40), 15036-15048.
17. Hussein, S.; Priester, D.; Beet, P.; Cottom, J.; Hart, S. J.; James, T.; Thatcher, R. J.; Whitwood, A. C.; Slattery, J. M., Filling a Niche in “Ligand Space” with Bulky, Electron-Poor Phosphorus(III) Alkoxides. Chem. – Eur. J. 2019, 25 (9), 2262-2271.
18. Hinz, A., Pseudo-One-Coordinate Tetrylenium Salts Bearing a Bulky Carbazolyl Substituent. Chem. – Eur. J. 2019, 25 (13), 3267-3271.
19. Gyton, M. R.; Bhadbhade, M.; Cole, M. L., A Flexible, Extremely Sterically Demanding Triazenide Ligand: Synthesis and Coordination Chemistry. Z. Anorg. Allg. Chem. 2019, 645 (11), 768-776.
20. Durand, D. J.; Fey, N., Computational Ligand Descriptors for Catalyst Design. Chem. Rev. (Washington, DC, U. S.) 2019, Ahead of Print.
21. Dodonov, V. A.; Morozov, A. G.; Rumyantsev, R. V.; Fukin, G. K.; Skatova, A. A.; Roesky, P. W.; Fedushkin, I. L., Synthesis and ε-Caprolactone Polymerization Activity of Electron-Deficient Gallium and Aluminum Species Containing a Charged Redox-Active dpp-Bian Ligand. Inorg. Chem. 2019, 58 (24), 16559-16573.
22. Davis, D.; Carrod, A. J.; Guo, Z.; Kariuki, B. M.; Zhang, Y.-Z.; Pikramenou, Z., Imidodiphosphonate Ligands for Enhanced Sensitization and Shielding of Visible and Near-Infrared Lanthanides. Inorg. Chem. 2019, 58 (19), 13268-13275.
23. Cole, M. L.; McKay, A. I.; Ping, N. S., Coordinative versatility in main group complexes of C-2,6-terphenyl substituted amidinates. Polyhedron 2019, 170, 424-430.
24. Becica, J.; Hruszkewycz, D. P.; Steves, J. E.; Elward, J. M.; Leitch, D. C.; Dobereiner, G. E., High-Throughput Discovery and Evaluation of a General Catalytic Method for N-Arylation of Weakly Nucleophilic Sulfonamides. Org. Lett. 2019, 21 (22), 8981-8986.
25. Zuo, Y.; Yang, N.; Huang, X.; Hu, C.; Su, Z., Mechanism and Origins of Stereoinduction in an Asymmetric Friedel-Crafts Alkylation Reaction of Chalcone Catalyzed by Chiral N,N’-Dioxide-Sc(III) Complex. J. Org. Chem. 2018, 83 (8), 4628-4640.
26. Tatebe, C. J.; Johnson, S. A.; Zeller, M.; Bart, S. C., Generation of Tp*2U(N3) from a family of new uranium(III) alkyl complexes. J. Organomet. Chem. 2018, 857, 152-158.
27. Pattenaude, S. A.; Coughlin, E. J.; Collins, T. S.; Zeller, M.; Bart, S. C., Expanding the Library of Uranyl Amide Derivatives: New Complexes Featuring the tert-Butyldimethylsilylamide Ligand. Inorg. Chem. 2018, 57 (8), 4543-4549.
28. Park, Y.; Niemeyer, Z. L.; Yu, J.-Q.; Sigman, M. S., Quantifying Structural Effects of Amino Acid Ligands in Pd(II)-Catalyzed Enantioselective C-H Functionalization Reactions. Organometallics 2018, 37 (2), 203-210.
29. Nishiura, T.; Uramoto, T.; Takiyama, Y.; Nakazawa, J.; Hikichi, S., Cobalt(II) Complexes with N,N,N-Scorpionates and Bidentate Ligands: Comparison of Hydrotris(3,5-dimethylpyrazol-1-yl)borate Tp* vs. Phenyltris(4,4-dimethyloxazolin-2-yl)borate To(M) to Control the Structural Properties and Reactivities of Cobalt Centers. Molecules 2018, 23 (6).
30. Nishiura, T.; Chiba, Y.; Nakazawa, J.; Hikichi, S., Tuning the O2 Binding Affinity of Cobalt(II) Centers by Changing the Structural and Electronic Properties of the Distal Substituents on Azole-Based Chelating Ligands. Inorg. Chem. 2018, 57 (22), 14218-14229.
31. Moehring, S. A.; Beltran-Leiva, M. J.; Paez-Hernandez, D.; Arratia-Perez, R.; Ziller, J. W.; Evans, W. J., Rare-Earth Metal(II) Aryloxides: Structure, Synthesis, and EPR Spectroscopy of [K(2.2.2-cryptand)][Sc(OC6H2tBu2-2,6-Me-4)3]. Chem. – Eur. J. 2018, 24 (68), 18059-18067.
32. Lee, W.-T.; Zeller, M.; Lugosan, A., Bis(triazenide), tris(triazenide), and lantern-type of triazenide iron complexes: Synthesis and structural characterization. Inorg. Chim. Acta 2018, 477, 109-113.
33. Koby, R. F.; Hanusa, T. P.; Schley, N. D., Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes. J. Am. Chem. Soc. 2018, 140 (46), 15934-15942.
34. Kahan, R. J.; Farnaby, J. H.; Tsoureas, N.; Cloke, F. G. N.; Hitchcock, P. B.; Coles, M. P.; Roe, S. M.; Wilson, C., Sterically encumbered mixed sandwich compounds of uranium(III): Synthesis and reactivity with small molecules. J. Organomet. Chem. 2018, 857, 110-122.
35. Furfari, S. K.; Gyton, M. R.; Cole, M. L., Synthesis and catalytic activity of rhodium(I) and iridium(I) 4,5-dibrominated N-heterocyclic carbene complexes. ChemRxiv 2018, 1-12.
36. Durr, C. B.; Williams, C. K., New Coordination Modes for Modified Schiff Base Ti(IV) Complexes and Their Control over Lactone Ring-Opening Polymerization Activity. Inorg. Chem. 2018, 57 (22), 14240-14248.
37. Zuo, Y.; Su, Z.; Wang, J.; Hu, C., Theoretical study on the mechanism and selectivity of asymmetric cycloaddition reactions of 3-vinylindole catalyzed by chiral N,N’-dioxide-Ni(II) complex. Catal. Today 2017, 298, 130-137.
38. Wright, C. M. R.; Williams, T. J.; Turner, Z. R.; Buffet, J.-C.; O’Hare, D., Selective ethylene oligomerisation using supported tungsten mono-imido catalysts. Inorg. Chem. Front. 2017, 4 (6), 1048-1060.
39. Weerawardhana, E. A.; Pena, A.; Zeller, M.; Lee, W.-T., Synthesis and characterization of iron and cobalt complexes with an asymmetric N-alkyl,N’-aryl-β-diketiminate ligand. Inorg. Chim. Acta 2017, 460, 29-34.
40. Wang, J.; Zuo, Y.; Hu, C.; Su, Z., Theoretical and experimental studies on the structure-property relationship of chiral N,N’-dioxide-metal catalysts probed by the carbonyl-ene reaction of isatin. Catal. Sci. Technol. 2017, 7 (11), 2183-2193.
41. Tole, T. T.; du Toit, J. I.; van Sittert, C. G. C. E.; Jordaan, J. H. L.; Vosloo, H. C. M., Synthesis and application of novel ruthenium catalysts for high temperature alkene metathesis. Catalysts 2017, 7 (1), 22/1-22/21.
42. Tatebe, C. J.; Zeller, M.; Bart, S. C., [2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ2-Ureato Compounds. Inorg. Chem. 2017, 56 (4), 1956-1965.
43. Tatebe, C. J.; Johnson, S. A.; Zeller, M.; Bart, S. C., Generation of Tp*2U(N3) from a family of new uranium(III) alkyl complexes. J. Organomet. Chem. 2017, Ahead of Print.
44. Rumyantcev, R. V.; Fukin, G. K., Intramolecular C-F→Ln dative interactions in lanthanide complexes with fluorinated ligands. Russ. Chem. Bull. 2017, 66 (9), 1557-1562.
45. Ilichev, V. A.; Rozhkov, A. V.; Rumyantcev, R. V.; Fukin, G. K.; Grishin, I. D.; Dmitriev, A. V.; Lypenko, D. A.; Maltsev, E. I.; Yablonskiy, A. N.; Andreev, B. A.; Bochkarev, M. N., LMCT facilitated room temperature phosphorescence and energy transfer in substituted thiophenolates of Gd and Yb. Dalton Trans. 2017, 46 (9), 3041-3050.
46. Fraser, R.; van Sittert, C. G. C. E.; van Rooyen, P. H.; Landman, M., Synthesis and structural investigation of mono- and dimetallic N-heterocyclic carbene complexes of group VII transition metals. J. Organomet. Chem. 2017, 835, 60-69.
47. Fraser, R.; van Rooyen, P. H.; de Lange, J.; Cukrowski, I.; Landman, M., Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols. J. Organomet. Chem. 2017, 840, 11-22.
48. Christian, A. H.; Toste, F. D.; Niemeyer, Z. L.; Sigman, M. S., Uncovering Subtle Ligand Effects of Phosphines Using Gold(I) Catalysis. ACS Catal 2017, 7 (6), 3973-3978.
49. Christian, A. H.; Niemeyer, Z. L.; Sigman, M. S.; Toste, F. D., Uncovering Subtle Ligand Effects of Phosphines Using Gold(I) Catalysis. ACS Catal. 2017, 7 (6), 3973-3978.
50. Boyde, N. C.; Rightmire, N. R.; Hanusa, T. P.; Brennessel, W. W., Symmetric assembly of a sterically encumbered allyl complex: mechanochemical and solution synthesis of the tris(allyl)beryllate, K[BeA’3](A’ = 1,3-(SiMe3)2C3H3). Inorganics 2017, 5 (2), 36/1-36/11.
51. Benedek, Z.; Szilvasi, T., Theoretical Assessment of Low-Valent Germanium Compounds as Transition Metal Ligands: Can They Be Better than Phosphines or NHCs? Organometallics 2017, 36 (8), 1591-1600.
52. Andrade, G. A.; DiMeglio, J. L.; Guardino, E. T.; Yap, G. P. A.; Rosenthal, J., Synthesis and structure of palladium(II) complexes supported by bis-NHC pincer ligands for the electrochemical activation of CO2. Polyhedron 2017, 135, 134-143.
53. Alluhaibi, L. M.; Brisdon, A. K.; Pritchard, R. G., Synthesis and characterisation of new perfluoropropenyl complexes of gold, platinum, palladium, and titanium. J. Fluorine Chem. 2017, 203, 146-154.
54. Weerawardhana, E. A.; Pena, A.; Zeller, M.; Lee, W.-T., Synthesis and characterization of iron and cobalt complexes with an asymmetric N-alkyl,N’-aryl-β-diketiminate ligand. Inorg. Chim. Acta 2016, Ahead of Print.
55. Wang, J.; Su, Z.; Yang, N.; Hu, C., Mechanistic Study of the Asymmetric Carbonyl-Ene Reaction between Alkyl Enol Ethers and Isatin Catalyzed by the N,N’-Dioxide-Mg(OTf)2 Complex. J. Org. Chem. 2016, 81 (15), 6444-6456.
56. Takayama, T.; Nakazawa, J.; Hikichi, S., A pseudotetrahedral nickel(II) complex with a tridentate oxazoline-based scorpionate ligand: chlorido[tris(4,4-dimethyloxazolin-2-yl)phenylborato]nickel(II). Acta Crystallogr., Sect. C: Struct. Chem. 2016, 72 (11), 842-845.
57. Skvortsov, G. G.; Tolpygin, A. O.; Lyubov, D. M.; Khamaletdinova, N. M.; Cherkasov, A. V.; Lyssenko, K. A.; Trifonov, A. A., Amidinate bisborohydride complexes of rare-earth metals [6-Me-C5H3N-2-CH2C(NPri)2]Ln(BH4)2THF2 (Ln = Y, Nd): synthesis, structure, and catalytic activity in isoprene polymerization. Russ. Chem. Bull. 2016, 65 (12), 2832-2840.
58. Sirianni, E. R.; Cummins, D. C.; Yap, G. P. A.; Theopold, K. H., FcTp(R) (R = iPr or tBu): third-generation ferrocenyl scorpionates. Acta Crystallogr., Sect. C: Struct. Chem. 2016, 72 (11), 813-818.
59. Siek, S.; Dixon, N. A.; Kumar, M.; Kraus, J. S.; Wells, K. R.; Rowe, B. W.; Kelley, S. P.; Zeller, M.; Yap, G. P. A.; Papish, E. T., Synthesis of Biomimetic Zinc Complexes for CO2 Activation and the Influence of Steric Changes in the Ttz Ligands [Ttz = Tris(triazolyl)borate]. Eur. J. Inorg. Chem. 2016, 2016 (15-16), 2495-2507.
60. Rightmire, N. R.; Bruns, D. L.; Hanusa, T. P.; Brennessel, W. W., Mechanochemical Influence on the Stereoselectivity of Halide Metathesis: Synthesis of Group 15 Tris(allyl) Complexes. Organometallics 2016, 35 (11), 1698-1706.
61. Nyamato, G. S.; Alam, M. G.; Ojwach, S. O.; Akerman, M. P., Nickel(II) complexes bearing pyrazolylpyridines: synthesis, structures and ethylene oligomerization reactions. Appl. Organomet. Chem. 2016, 30 (2), 89-94.
62. Niemeyer, Z. L.; Milo, A.; Hickey, D. P.; Sigman, M. S., Parameterization of phosphine ligands reveals mechanistic pathways and predicts reaction outcomes. Nat. Chem. 2016, 8 (6), 610-617.
63. Magubane, M. N.; Nyamato, G. S.; Ojwach, S. O.; Munro, O. Q., Structural, kinetic, and DFT studies of the transfer hydrogenation of ketones mediated by (pyrazole)pyridine iron(II) and nickel(II) complexes. RSC Adv. 2016, 6 (69), 65205-65221.
64. Kubis, C.; Profir, I.; Fleischer, I.; Baumann, W.; Selent, D.; Fischer, C.; Spannenberg, A.; Ludwig, R.; Hess, D.; Franke, R.; Boerner, A., In Situ FTIR and NMR Spectroscopic Investigations on Ruthenium-Based Catalysts for Alkene Hydroformylation. Chem. – Eur. J. 2016, 22 (8), 2746-2757.
65. Fukin, G. K.; Samsonov, M. A.; Poddel’sky, A. I.; Cherkasov, V. K., Reversible binding of molecular oxygen to catecholate and o-amidophenolate complexes of SbV: energy approach. Russ. Chem. Bull. 2016, 65 (1), 61-66.
66. Fukin, G. K.; Samsonov, M. A.; Baranov, E. V.; Poddel’sky, A. I.; Cherkasov, V. K., Experimental and theoretical investigation of topological and energy characteristics of electron density in crystals of SbVo-amidophenolate complexes. Russ. Chem. Bull. 2016, 65 (1), 54-60.
67. Fraser, R.; van Rooyen, P. H.; Landman, M., Synthesis, structure and substitution pattern study of phosphine-substituted dimetallic Fischer carbene complexes of cymantrene. Polyhedron 2016, 118, 133-142.
68. Doherty, S.; Knight, J. G.; Perry, D. O.; Ward, N. A. B.; Bittner, D. M.; McFarlane, W.; Wills, C.; Probert, M. R., Triaryl-like MONO-, BIS-, and TRISKITPHOS phosphines: synthesis, solution NMR studies, and a comparison in gold-catalyzed carbon-heteroatom bond forming 5-exo-dig and 6-endo-dig cyclizations. Organometallics 2016, 35 (9), 1265-1278.
69. Bae, H.; Huang, B.; Lee, H., Steric effects of CO2 binding to transition metal-benzene complexes: a first-principles study., e-Print Arch., Phys. 2016, 1-17.
70. Xu, S.; Magoon, Y.; Reinig, R. R.; Schmidt, B. M.; Ellern, A.; Sadow, A. D., Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*). Organometallics 2015, 34 (14), 3508-3519.
71. Siek, S.; Dixon, N. A.; Kumar, M.; Kraus, J. S.; Wells, K. R.; Rowe, B. W.; Kelley, S. P.; Zeller, M.; Yap, G. P. A.; Papish, E. T., Synthesis of Biomimetic Zinc Complexes for CO2 Activation and the Influence of Steric Changes in the Ttz Ligands [Ttz = Tris(triazolyl)borate]. Eur. J. Inorg. Chem. 2015, Ahead of Print.
72. Leverett, A. R.; McKay, A. I.; Cole, M. L., The stabilization of gallane and indane by a ring expanded carbene. Dalton Trans. 2015, 44 (2), 498-500.
73. Goodwin, C. A. P.; Joslin, K. C.; Lockyer, S. J.; Formanuik, A.; Morris, G. A.; Ortu, F.; Vitorica-Yrezabal, I. J.; Mills, D. P., Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands. Organometallics 2015, 34 (11), 2314-2325.
74. Furfari, S. K.; Gyton, M. R.; Twycross, D.; Cole, M. L., Air stable NHCs: a study of stereoelectronics and metallorganic catalytic activity. Chem. Commun. (Cambridge, U. K.) 2015, 51 (1), 74-76.
75. Denny, J. A.; Darensbourg, M. Y., Metallodithiolates as Ligands in Coordination, Bioinorganic, and Organometallic Chemistry. Chem. Rev. (Washington, DC, U. S.) 2015, 115 (11), 5248-5273.
76. Chen, C.; Hecht, M. B.; Kavara, A.; Brennessel, W. W.; Mercado, B. Q.; Weix, D. J.; Holland, P. L., Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst. J. Am. Chem. Soc. 2015, 137 (41), 13244-13247.
77. Chen, C.; Bellows, S. M.; Holland, P. L., Tuning steric and electronic effects in transition-metal β-diketiminate complexes. Dalton Trans. 2015, 44 (38), 16654-16670.
78. Benedek, Z.; Szilvasi, T., Can low-valent silicon compounds be better transition metal ligands than phosphines and NHCs? RSC Adv. 2015, 5 (7), 5077-5086.
79. Xu, S.; Everett, W. C.; Ellern, A.; Windus, T. L.; Sadow, A. D., Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes. Dalton Trans. 2014, 43 (38), 14368-14376.
80. Wallick, J. L.; Riordan, C. G.; Yap, G. P. A., Acetate and acetamide complexes of [Ni(Me4[12]aneN4)]PF6: a tale of two ligands. Acta Crystallogr., Sect. C: Struct. Chem. 2014, 70 (7), 640-643.
81. Schulz, A., On The Steric Hindrance of Bulky Substituents – Determination of Their Cone Angles. Z. Anorg. Allg. Chem. 2014, 640 (11), 2183-2192.
82. Piskunov, A. V.; Meshcheryakova, I. N.; Ershova, I. V.; Bogomyakov, A. S.; Cherkasov, A. V.; Fukin, G. K., The reactivity of o-amidophenolate indium(III) complexes towards different oxidants. RSC Adv. 2014, 4 (80), 42494-42505.
83. McAtee, J. R.; Yap, G. P. A.; Watson, D. A., Rational Design of a Second Generation Catalyst for Preparation of Allylsilanes Using the Silyl-Heck Reaction. J. Am. Chem. Soc. 2014, 136 (28), 10166-10172.
84. Marx, F. T. I.; Jordaan, J. H. L.; Lachmann, G.; Vosloo, H. C. M., A Molecular modeling study of the changes of some steric properties of the precatalysts during the olefin metathesis reaction. J. Comput. Chem. 2014, 35 (19), 1457-1463.
85. Mampa, R. M.; Fernandes, M. A.; Carlton, L., Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3 = Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects. Organometallics 2014, 33 (13), 3283-3299.
86. Lee, W.-T.; Jeon, I.-R.; Xu, S.; Dickie, D. A.; Smith, J. M., Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand. Organometallics 2014, 33 (20), 5654-5659.
87. Kuzyaev, D. M.; Rumyantsev, R. V.; Fukin, G. K.; Bochkarev, M. N., Hexafluoroisopropoxides of divalent and trivalent lanthanides. Structures and luminescence properties. Russ. Chem. Bull. 2014, 63 (4), 848-853.
88. Kia, R.; Scholz, M.; Raithby, P. R.; Techert, S., Homoleptic tetraazaphenanthrene-based copper(I) complexes: Synthesis, spectroscopic characterization, crystal structures and computational studies. Inorg. Chim. Acta 2014, 423 (Part_A), 348-357.
89. Falivene, L.; Poater, A.; Cavallo, L. In Tuning and quantifying steric and electronic effects of N-heterocyclic carbenes, Wiley-VCH Verlag GmbH & Co. KGaA: 2014; pp 25-37.
90. Cepeda, J.; Perez-Yanez, S., Modulating the MII/Pyrimidine-4,6-dicarboxylato System by Metal, Solvent and Temperature Variation. Eur. J. Inorg. Chem. 2014, 2014 (20), 3221-3234.
91. Boyde, N. C.; Chmely, S. C.; Hanusa, T. P.; Rheingold, A. L.; Brennessel, W. W., Structural Distortions in M[E(SiMe3)2]3 Complexes (M = Group 15, f-Element; E = N, CH): Is Three a Crowd? Inorg. Chem. 2014, 53 (18), 9703-9714.
92. Bemowski, R. D.; Singh, A. K.; Bajorek, B. J.; De Porre, Y.; Odom, A. L., Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal. Dalton Trans. 2014, 43 (32), 12299-12305.
93. Balashova, T. V.; Belova, N. A.; Burin, M. E.; Kuzyaev, D. M.; Rumyantcev, R. V.; Fukin, G. K.; Pushkarev, A. P.; Ilichev, V. A.; Shestakov, A. F.; Grishin, I. D.; Bochkarev, M. N., Substituted naphtholates of rare earth metals as emissive materials. RSC Adv. 2014, 4 (67), 35505-35510.
94. Yan, K.; Upton, B. M.; Zhu, J.; Ellern, A.; Sadow, A. D., Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds. Organometallics 2013, 32 (22), 6834-6843.
95. Poddel’sky, A. I.; Baranov, E. V.; Fukin, G. K.; Cherkasov, V. K.; Abakumov, G. A., The nitro-substituted catecholates of triphenylantimony(V): Tetragonal pyramidal vs. trigonal bipyramidal coordination. J. Organomet. Chem. 2013, 733, 44-48.
96. Hastings, S. D.; Byrd, H.; Gray, L. N.; Jablonsky, M. J.; Freeman, J. L.; Gray, G. M., Multinuclear NMR Spectroscopic and X-ray Crystallographic Studies of Electronic and Steric Effects of Phosphonous Acid Ligands and Their Chlorophosphite Ligand Precursors in Tungsten Pentacarbonyl Complexes. Eur. J. Inorg. Chem. 2013, 2013 (16), 2900-2911.
97. Fujisawa, K.; Takisawa, H., {Tris[3-(adamantan-1-yl)-5-isopropylpyrazol-1-yl-κN2]hydroborato}thallium(I): the scorpionate with the most bulk? Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 2013, 69 (9), 986-989.
98. Doherty, S.; Knight, J. G.; Ward, N. A. B.; Bittner, D. M.; Wills, C.; McFarlane, W.; Clegg, W.; Harrington, R. W., Electron-rich trialkyl-type dihydro-KITPHOS monophosphines: efficient ligands for palladium-catalyzed Suzuki-Miyaura cross-coupling. Comparison with their biaryl-like KITPHOS monophosphine counterparts. Organometallics 2013, 32 (6), 1773-1788.
99. Bilbrey, J. A.; Kazez, A. H.; Locklin, J.; Allen, W. D., Exact Ligand Solid Angles. J. Chem. Theory Comput. 2013, 9 (12), 5734-5744.
100. Munoz, S. B.; Foster, W. K.; Lin, H.-J.; Margarit, C. G.; Dickie, D. A.; Smith, J. M., Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes. Inorg. Chem. 2012, 51 (23), 12660-12668.
101. Fukin, G. K.; Baranov, E. V.; Poddel’sky, A. I.; Cherkasov, V. K.; Abakumov, G. A., Reversible Binding of Molecular Oxygen to Catecholate and Amidophenolate Complexes of SbV: Electronic and Steric Factors. ChemPhysChem 2012, 13 (17), 3773-3776, S3773/1-S3773/8.
102. Fedushkin, I. L.; Moskalev, M. V.; Lukoyanov, A. N.; Tishkina, A. N.; Baranov, E. V.; Abakumov, G. A., Dialane with a Redox-Active Bis-Amido Ligand: Unique Reactivity towards Alkynes. Chem. – Eur. J. 2012, 18 (36), 11264-11276, S11264/1-S11264/5.
103. DiFranco, S. A.; Maciulis, N. A.; Staples, R. J.; Batrice, R. J.; Odom, A. L., Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals. Inorg. Chem. 2012, 51 (2), 1187-1200.
104. Cowley, R. E.; Holland, P. L., Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides. Inorg. Chem. 2012, 51 (15), 8352-8361.
105. Cepeda, J.; Balda, R.; Beobide, G.; Castillo, O.; Fernandez, J.; Luque, A.; Perez-Yanez, S.; Roman, P., Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties. Inorg. Chem. 2012, 51 (14), 7875-7888.
106. Broomfield, L. M.; Bochmann, M.; Wright, J. A., Tris[3,6-di-tert-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ2 N,O]aluminium(III) toluene sesquisolvate. Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 2012, 68 (8), m226-m228.
107. Wu, K.; Mukherjee, D.; Ellern, A.; Sadow, A. D.; Geiger, W. E., Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes. New J. Chem. 2011, 35 (10), 2169-2178.
108. Edwards, P. G.; Kariuki, B. M.; Limon, M.; Ooi, L.-L.; Platts, J. A.; Newman, P. D., Metal Complexes of a Structurally Embellished Phosphinane Ligand: An Assessment of Stereoelectronic Effects. Eur. J. Inorg. Chem. 2011, (8), 1230-1239.
109. Dunne, J. F.; Neal, S. R.; Engelkemier, J.; Ellern, A.; Sadow, A. D., Tris(oxazolinyl)boratomagnesium-Catalyzed Cross-Dehydrocoupling of Organosilanes with Amines, Hydrazine, and Ammonia. J. Am. Chem. Soc. 2011, 133 (42), 16782-16785.
110. Dible, B. R.; Cowley, R. E.; Holland, P. L., Remote Substitution on N-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes. Organometallics 2011, 30 (19), 5123-5132.
111. Cepeda, J.; Balda, R.; Beobide, G.; Castillo, O.; Fernandez, J.; Luque, A.; Perez-Yanez, S.; Roman, P.; Vallejo-Sanchez, D., Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects. Inorg. Chem. 2011, 50 (17), 8437-8451.
112. Searls, C. E.; Kleespies, S. T.; Eppright, M. L.; Schwartz, S. C.; Yap, G. P. A.; Scarrow, R. C., Trigonal Bi- and Monopyramidal Cobalt(II) Complexes of a Novel Guanidine-Based Tripodal Ligand. Inorg. Chem. 2010, 49 (24), 11261-11263.
113. Piskunov, A. V.; Meshcheryakova, I. N.; Baranov, E. V.; Fukin, G. K.; Cherkasov, V. K.; Abakumov, G. A., New tin(IV) o-iminosemiquinone complexes. Russ. Chem. Bull. 2010, 59 (2), 361-370.
114. Neal, S. R.; Ellern, A.; Sadow, A. D., Optically active, bulky tris(oxazolinyl)borato magnesium and calcium compounds for asymmetric hydroamination/cyclization. J. Organomet. Chem. 2010, 696 (1), 228-234.
115. Milicevic, A.; Raos, N., Theoretical analysis of apical bonding in copper(II) chelates with N-substituted amino acids. J. Appl. Crystallogr. 2010, 43 (1), 42-47.
116. Maleev, A. A.; Balashova, T. V.; Fukin, G. K.; Katkova, M. A.; Lopatin, M. A.; Bochkarev, M. N., 1,3-Bis(alkylimino)isoindolinates of rare earth metals: Synthesis, molecular structure and photoluminescence. Polyhedron 2010, 29 (1), 10-15.
117. Keiter, R. L.; Ye, P.; Keiter, E. A.; Benson, J. W.; Lin, W.; Brandt, D. E.; Southern, J. S.; Rheingold, A. L.; Guzei, I.; Wheeler, K. A.; Cary, L. W., Intramolecular exchange of coordinated and dangling phosphines in pentacarbonyl group 6 complexes of 1,1,2-tris(diphenylphosphino)ethane. Inorg. Chim. Acta 2010, 364 (1), 176-184.
118. Fey, N., The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models. Dalton Trans. 2010, 39 (2), 296-310.
119. Dunne, J. F.; Manna, K.; Wiench, J. W.; Ellern, A.; Pruski, M.; Sadow, A. D., Bis(oxazolinyl)phenylborane: A Lewis acid-containing ligand for methide abstraction-based coordination to aluminum(III). Dalton Trans. 2010, 39 (2), 641-653.
120. Dunne, J. F.; Fulton, D. B.; Ellern, A.; Sadow, A. D., Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination. J. Am. Chem. Soc. 2010, 132 (50), 17680-17683.
121. Barinova, Y. P.; Begantsova, Y. E.; Stolyarova, N. E.; Grigorieva, I. K.; Cherkasov, A. V.; Fukin, G. K.; Kurskii, Y. A.; Bochkarev, L. N.; Abakumov, G. A., Synthesis and structures of bimetallic silicon-containing imido alkylidene complexes of molybdenum Me2Si[CH=Mo(NAr)(ORF3)2]2 and PhVinSi[CH=Mo(NAr)(ORF3)2]2. Inorg. Chim. Acta 2010, 363 (10), 2313-2317.
122. Skvortsov, G. G.; Lyubov, D. M.; Yakovenko, M. V.; Fukin, G. K.; Cherkasov, A. V.; Trifonov, A. A., Guanidinate derivatives of rare-earth metals. The synthesis, properties, and molecular structures of the complexes {(Me3Si)2NC(NPri)2}3Nd, {(Me3Si)2NC(NCy)2}3Lu, and {(Me3Si)2NC(NPri)2}2{HC(NPri)2}Nd. Russ. Chem. Bull. 2009, 58 (6), 1126-1131.
123. Poater, A.; Cosenza, B.; Correa, A.; Giudice, S.; Ragone, F.; Scarano, V.; Cavallo, L., SambVca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands. Eur. J. Inorg. Chem. 2009, (13), 1759-1766.
124. Pet, M. A.; Cain, M. F.; Hughes, R. P.; Glueck, D. S.; Golen, J. A.; Rheingold, A. L., Synthesis and structure of ferrocenylmethylphosphines, their borane adducts, and some related derivatives. J. Organomet. Chem. 2009, 694 (14), 2279-2289.
125. Pawlikowski, A. V.; Ellern, A.; Sadow, A. D., Ligand Exchange Reactions and Hydroamination with Tris(oxazolinyl)borato Yttrium Compounds. Inorg. Chem. 2009, 48 (16), 8020-8029.
126. Milicevic, A.; Raos, N., Theoretical analysis of apical bonding in copper(II) chelates with amino acids. J. Appl. Crystallogr. 2009, 42 (5), 793-797.
127. Katkova, M. A.; Ilichev, V. A.; Konev, A. N.; Pestova, I. I.; Fukin, G. K.; Bochkarev, M. N., 2-Mercaptobenzothiazolate complexes of rare earth metals and their electroluminescent properties. Org. Electron. 2009, 10 (4), 623-630.
128. Katkova, M. A.; Burin, M. E.; Logunov, A. A.; Ilichev, V. A.; Konev, A. N.; Fukin, G. K.; Bochkarev, M. N., Lanthanide imidodiphosphinate complexes: Synthesis, structure and new aspects of electroluminescent properties. Synth. Met. 2009, 159 (14), 1398-1402.
129. Fey, N.; Orpen, A. G.; Harvey, J. N., Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal-phosphorus bond. Coord. Chem. Rev. 2009, 253 (5+6), 704-722.
130. Chiang, K. P.; Barrett, P. M.; Ding, F.; Smith, J. M.; Kingsley, S.; Brennessel, W. W.; Clark, M. M.; Lachicotte, R. J.; Holland, P. L., Ligand Dependence of Binding to Three-Coordinate Fe(II) Complexes. Inorg. Chem. 2009, 48 (12), 5106-5116.
131. Piskunov, A. V.; Aivaz’yan, I. A.; Poddel’sky, A. I.; Fukin, G. K.; Baranov, E. V.; Cherkasov, V. K.; Abakumov, G. A., New germanium complexes containing ligands based on 4,6-di-tert-butyl-N-(2,6-diisopropylphenyl)-o-iminobenzoquinone in different redox states. Eur. J. Inorg. Chem. 2008, (9), 1435-1444.
132. Hollo-Sitkei, E.; Tarkanyi, G.; Parkanyi, L.; Megyes, T.; Besenyei, G., Steric effects in the self-assembly of palladium complexes with chelating diamine ligands. Eur. J. Inorg. Chem. 2008, (10), 1573-1583.
133. An der Heiden, M. R.; Plenio, H.; Immel, S.; Burello, E.; Rothenberg, G.; Hoefsloot, H. C. J., Insights into Sonogashira cross-coupling by high-throughput kinetics and descriptor modeling. Chem. – Eur. J. 2008, 14 (9), 2857-2866.
134. Skvortsov, G. G.; Yakovenko, M. V.; Castro, P. M.; Fukin, G. K.; Cherkasov, A. V.; Carpentier, J.-F.; Trifonov, A. A., Lanthanide borohydride complexes of bulky guanidinate ligands [(Me3Si)2NC(N-Cy)2]2Ln(μ-BH4)2Li(THF)2 (Ln = Nd, Sm, Yb): synthesis, structure and catalytic activity in lactide polymerization. Eur. J. Inorg. Chem. 2007, (20), 3260-3267.
135. Leuthaeusser, S.; Schwarz, D.; Plenio, H., Tuning the electronic properties of N-heterocyclic carbenes. Chem. – Eur. J. 2007, 13 (25), 7195-7203.
136. Huang, R.; Frost, B. J., Development of a Series of P(CH2N:CHR)3 and Trisubstituted 1,3,5-Triaza-7-phosphaadamantane Ligands. Inorg. Chem. 2007, 46 (26), 10962-10964.
137. Darensbourg, D. J.; Andreatta, J. R.; Stranahan, S. M.; Reibenspies, J. H., What is the Real Steric Impact of Triphenyl-phosphite? Solid-State and Solution Structural Studies of cis- and trans-Isomers of M(CO)4[P(OPh)3]2 (M = Mo and W). Organometallics 2007, 26 (27), 6832-6838.