Molecular Structure Laboratory
UW-Madison Department of Chemistry

Solid-G

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
c:\SolidAngle\
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 - 243 papers as of November 4, 2025

  1. Ryan, David E.; Fuller, Jack T., III; Patrick, Evan A.; Erickson, Jeremy D.; Speelman, Amy L.; Carroll, Timothy G.; Schenter, Gregory K.; Ginovska, Bojana; Raugei, Simone; Bullock, R. Morris; Tran, Ba L. “Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance”. J. Am. Chem. Soc., 2025, 147 (17), 14280-14298.
  2. Queen, Joshua D.; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Redox Studies of the Scandium Metallocene (C5H2tBu3)2Sc(II) Lead to a Terminal Side-On (N:N)2- Complex: [(C5H2tBu3)2Sc(III)(η2-N2)]”. J. Am. Chem. Soc., 2025, 147 (14), 12138-12149.
  3. Patrick, Evan A.; Erickson, Jeremy D.; Bullock, R. Morris; Tran, Ba L. “Synthesis and Structural Investigation of Rigid Naphthyridine-Bis(carbene) for Trigonal Planar Coordination of Coinage Metals”. Organometallics, 2025, 44 (2), 373-384.
  4. Papangelis, Evangelos; Demonti, Luca; del Rosal, Iker; Shephard, Angus; Maron, Laurent; Nocton, Gregory; Simler, Thomas. “Room-Temperature H2 Splitting and N2-Hydrogenation Induced by a Neutral LuII Complex”. J. Am. Chem. Soc., 2025, 147 (11), 9752-9763.
  5. Nguyen, Joseph Q.; Rajabi, Ahmadreza; Wang, Anthony J.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “A Linear Metallocene of Sc(II) Supported by [C5Me4(SiMe2tBu)]1- Ligands”. J. Am. Chem. Soc., 2025, 147 (25), 21357-21362.
  6. Nguyen, Joseph Q.; Anderson-Sanchez, Lauren M.; Ziller, Joseph W.; Evans, William J. “Synthesis and Structure of Silyl-Substituted Bis(cyclopentadienyl) Scandium(III) Halide Complexes”. Organometallics, 2025, 44 (1), 137-147.
  7. Migwi, Francis K.; Nyamato, George S.; Akerman, Matthew P.; Ojwach, Stephen O. “An Experimental and Theoretical Investigation of the Ethylene Oligomerization Reactions Catalyzed by Heterocyclic (Pyrazolyl)Imine Fe(II) and Co(II) Complexes”. Eur. J. Inorg. Chem., 2025, 28 (25), e202500248.
  8. Meshcheryakova, I. N.; Druzhkov, N. O.; Kocherova, T. N.; Rumyantcev, R. V.; Arsenyev, M. V.; Khamaletdinova, N. M.; Piskunov, A. V. “Influence of the Steric Factor on the Structure of Indium(III) Iodide Complexes Based on Substituted o-Iminobenzoquinones”. Russ. J. Coord. Chem., 2025, 51 (6), 402-413.
  9. Kumar, Sourabh; Button-Jennings, Dillon; Hanusa, Timothy P.; Martini, Ashlie. “Solvent influence on the mechanism of a mechanochemical metal-halide metathesis reaction”. RSC Mechanochem., 2025, 2 (4), 529-537.
  10. Huo, Ziyu; Xie, Xiaoyu; Mahmud, Nadim; Worch, Joshua C.; Tong, Rong. “Functionalized Cyclic Poly(α-Hydroxy Acids) via Controlled Ring-Opening Polymerization of O-Carboxyanhydrides”. Angew. Chem., Int. Ed., 2025, 64 (24), e202423973.
  11. Gilbert, Thomas M. “Computational Studies of cis- and trans-Isomer Preferences of d0 MX4L2 Complexes: Overcoming the trans Influence with Steric Demands”. Inorg. Chem., 2025, 64 (38), 19476-19484.
  12. Dun, Mu Mu W.; Gao, Michaela N.; Vyhmeister, Ethan C.; Wheeler, Kraig A. “Regioisomeric Quasiracemates – Fluorinated Diarylamide, Naphthylamide, and Benzoyl Phenylalanine Systems”. Cryst. Growth Des., 2025, 25 (15), 6098-6108.
  13. Balashova, Tatyana V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Grishin, Ivan D.; Rumyantcev, Roman V.; Fukin, Georgy K.; Marugin, Alexey V.; Bochkarev, Mikhail N. “Synthesis and Luminescent Properties of Lanthanide Complexes with Naphthylboronic Acid”. Organometallics, 2025, 44 (10), 1067-1074.
  14. Zagidullin, Almaz A.; Ganushevich, Yulia S.; Korchagin, Denis V.; Lonnecke, Peter; Hey-Hawkins, Evamarie; Miluykov, Vasili A. “Synthesis of P,P-bidentate caged phosphines via tungsten pentacarbonyl-promoted cycloaddition reactions of 1-alkyl-1,2-diphospholes”. New J. Chem., 2024, 48 (15), 6848-6856.
  15. Souza, Lucas W.; Miller, Beck R.; Cammarota, Ryan C.; Lo, Anna; Lopez, Ixchel; Shiue, Yuan-Shin; Bergstrom, Benjamin D.; Dishman, Sarah N.; Fettinger, James C.; Sigman, Matthew S.; Shaw, Jared T. “Deconvoluting Nonlinear Catalyst-Substrate Effects in the Intramolecular Dirhodium-Catalyzed C-H Insertion of Donor/Donor Carbenes Using Data Science Tools”. ACS Catal., 2024, 14 (1), 104-115.
  16. Queen, Joshua D.; Anderson-Sanchez, Lauren M.; Stennett, Cary R.; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Synthesis of Crystallographically Characterizable Bis(cyclopentadienyl) Sc(II) Complexes: (C5H2tBu3)2Sc and {[C5H3(SiMe3)2]2ScI}1”. J. Am. Chem. Soc., 2024, 146 (5), 3279-3292.
  17. Perez, Hiram; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio. “Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations”. ChemistrySelect, 2024, 9 (45), e202404665.
  18. Papangelis, Evangelos; Demonti, Luca; del Rosal, Iker; Shephard, Angus; Maron, Laurent; Nocton, Gregory; Simler, Thomas. “Room-temperature H2 splitting and N2-hydrogenation induced by a neutral LuII complex”. ChemRxiv, 2024, 1-22.
  19. Oliveros R, Deivi A.; Goite, Maria C.; Briceno, Alexander; Gonzalez, Teresa; Ocando-Mavarez, Edgar; Mora, Jose R.; Machado, Ruben A. “Reactivity and isomerization of tert-butyldiallylphosphine with Os3 metallic cluster: Insights into the reaction mechanism and plausible intermediates through spectroscopic evidence and computational calculations”. J. Organomet. Chem., 2024, 1008, 123048.
  20. Norwine, Emily E.; Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K. “Additive Effects in Metal/Lewis Acid Cooperativity Assessed in a Tetrahedral Copper Hydrazine Complex Featuring an Appended Borane”. Inorg. Chem., 2024, 63 (40), 18519-18523.
  21. Nguyen, Joseph Q.; Wedal, Justin C.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Investigating Steric and Electronic Effects in the Synthesis of Square Planar 6d1 Th(III) Complexes”. Inorg. Chem., 2024, 63 (14), 6217-6230.
  22. Matsuoka, Wataru; Oki, Taihei; Yamada, Ren; Yokoyama, Tomohiko; Suda, Shinichi; Saunders, Carla M.; Skjelstad, Bastian Bjerkem; Harabuchi, Yu; Fey, Natalie; Iwata, Satoru; Maeda, Satoshi. “Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering”. ACS Catal., 2024, 14 (21), 16297-16312.
  23. Matsuoka, Wataru; Oki, Taihei; Yamada, Ren; Yokoyama, Tomohiko; Suda, Shinichi; Harabuchi, Yu; Iwata, Satoru; Maeda, Satoshi. “Virtual ligand-assisted optimization: a rational strategy for ligand engineering”. ChemRxiv, 2024, 1-16.
  24. Jones, Rebecca L.; Turner, Zoe R.; Buffet, Jean-Charles; O’Hare, Dermot. “Bis(phenoxy-imine) Alkaline-Earth Complexes with Competing Binding Pockets”. Organometallics, 2024, 43 (3), 414-426.
  25. Escayola, Silvia; Bahri-Laleh, Naeimeh; Poater, Albert. “%VBur index and steric maps: from predictive catalysis to machine learning”. Chem. Soc. Rev., 2024, 53 (2), 853-882.
  26. Deng, Chong; Yang, Yihu; Wang, Yi; Huang, Wenliang. “Divergent reactivity of U(III) and U(II) complexes with organoazides via isolable diazenylimido intermediates”. Inorg. Chem. Front., 2024, 11 (21), 7483-7491.
  27. DeGroot, Henry P.; Speight, Isaiah R.; Brennessel, William W.; Hanusa, Timothy P. “t-Butyl and Trimethylsilyl Substituents in Nickel Allyl Complexes: Similar but Not the Same”. ACS Org. Inorg. Au, 2024, 4 (6), 658-672.
  28. Anderson-Sanchez, Lauren M.; Ziller, Joseph W.; Evans, William J. “Synthesis of Bis(2,6-Diadamantylaryloxide) Ln(II) Complexes of Samarium, Europium, and Ytterbium and Their Ln(III) Precursors”. Inorg. Chem., 2024, 63 (45), 21416-21422.
  29. Rumyantsev, R. V.; Katkova, M. A.; Zabrodina, G. S.; Ketkov, S. Y. “FEATURES OF DICYANAMIDE BINDING TO A POLYNUCLEAR METALLAMACROCYCLIC COPPER COMPLEX”. J. Struct. Chem., 2023, 64 (9), 1635-1643.
  30. Pandey, Dilip K.; Khaskin, Eugene; Khusnutdinova, Julia R. “PNP-Pincer Ligands Armed With Methyls: New Tools To Control Sterics and Non-Innocence”. ChemCatChem, 2023, 15 (20), e202300644.
  31. Nguyen, Joseph Q.; Anderson-Sanchez, Lauren M.; Moore, William N. G.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Replacing Trimethylsilyl with Triisopropylsilyl Provides Crystalline (C5H4SiR3)3Th Complexes of Th(III) and Th(II)”. Organometallics, 2023, 42 (19), 2927-2937.
  32. Matsuoka, Wataru; Harabuchi, Yu; Maeda, Satoshi. “Virtual Ligand Strategy in Transition Metal Catalysis Toward Highly Efficient Elucidation of Reaction Mechanisms and Computational Catalyst Design”. ACS Catal., 2023, 13 (8), 5697-5711.
  33. Kneiding, Hannes; Nova, Ainara; Balcells, David. “Evolutionary multiobjective optimization of multiligand metal complexes in diverse and vast chemical spaces”. ChemRxiv, 2023, 1-29.
  34. Killian, Lars; Bienenmann, Roel L. M.; Broere, Daniel L. J. “Quantification of the Steric Properties of 1,8-Naphthyridine-Based Ligands in Dinuclear Complexes”. Organometallics, 2023, 42 (1), 27-37.
  35. Gransbury, Gemma K.; Corner, Sophie C.; Kragskow, Jon G. C.; Evans, Peter; Yeung, Hing Man; Blackmore, William J. A.; Whitehead, George F. S.; Vitorica-Yrezabal, Inigo J.; Oakley, Meagan S.; Chilton, Nicholas F.; Mills, David P. “AtomAccess: A Predictive Tool for Molecular Design and Its Application to the Targeted Synthesis of Dysprosium Single-Molecule Magnets”. J. Am. Chem. Soc., 2023, 145 (41), 22814-22825.
  36. Giarrusso, Claudia P.; Zeil, Daniel V.; Blair, Victoria L. “Catalytic exploration of NHC-Ag(I)HMDS complexes for the hydroboration and hydrosilylation of carbonyl compounds”. Dalton Trans., 2023, 52 (23), 7828-7835.
  37. Bouma, Mathijs J.; Aspers, Ruud L. E. G.; Tessari, Marco; Rutjes, Floris P. J. T.; Fraser, Roan; Feiters, Martin C. “Computational (DFT) and Experimental (NMR) Study of the Chelation of an Iridium Hyperpolarization Transfer Catalyst by Amino Acids”. Eur. J. Inorg. Chem., 2023, 26 (25), e202300260.
  38. Bostelaar, Trever M.; Brown, Alexandra C.; Sridharan, Arun; Suess, Daniel L. M. “A general method for metallocluster site-differentiation”. Nat. Synth., 2023, 2 (8), 740-748.
  39. Anderson-Sanchez, Lauren M.; Yu, Jason M.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Room-Temperature Stable Ln(II) Complexes Supported by 2,6-Diadamantyl Aryloxide Ligands”. Inorg. Chem., 2023, 62 (2), 706-714.
  40. Wenger, Lauren E.; Shawver, Nicholas M.; Brennessel, William W.; Long, Brian K.; Hanusa, Timothy P. “Heteroleptic Aluminum Allyls as Initiators for Lactide Polymerization”. Organometallics, 2022, 41 (23), 3718-3723.
  41. Wei, Jie; Li, Maoshuai; Ding, Jie; Dai, Weikang; Yang, Qi; Feng, Yi; Yang, Cheng; Yang, Wanxin; Zheng, Ying; Wang, Mei-Yan; Ma, Xinbin. “Parameterization of Phosphine Ligands Modified Rh Complexes to Unravel Quantitative Structure-Activity Relationship and Mechanistic Pathways in Hydroformylation”. ChemCatChem, 2022, 14 (16), e202200423.
  42. Wedal, Justin C.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Synthesis and Reduction of Heteroleptic Bis(cyclopentadienyl) Uranium(III) Complexes”. Inorg. Chem., 2022, 61 (19), 7365-7376.
  43. Stevens, Matthew P.; Spray, Emily; Vitorica-Yrezabal, Inigo J.; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Ortu, Fabrizio. “Structural Investigation of Magnesium Complexes Supported by a Thiopyridyl Scorpionate Ligand”. Molecules, 2022, 27 (14), 4564.
  44. Selikhov, Alexander N.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Trifonov, Alexander A. “Thermally Stable Cationic Bis(benzhydryl) Complexes of Early Lanthanides (La, Ce, Nd)”. Organometallics, 2022, 41 (6), 820-828.
  45. Rupasinghe, D. M. Ramitha Y. P.; Baxter, Makayla R.; Gupta, Himanshu; Poore, Andrew T.; Higgins, Robert F.; Zeller, Matthias; Tian, Shiliang; Schelter, Eric J.; Bart, Suzanne C. “Actinide-Oxygen Multiple Bonds from Air: Synthesis and Characterization of a Thorium Oxo Supported by Redox-Active Ligands”. J. Am. Chem. Soc., 2022, 144 (38), 17423-17431.
  46. Robinson, Thomas P.; Georges, Maureen; Turner, Zoe R.; Buffet, Jean-Charles; O’Hare, Dermot. “Zirconium Permethylpentalene Amidinate Complexes: Characterization, Bonding, and Olefin Polymerization Catalysis”. Organometallics, 2022, 41 (17), 2415-2424.
  47. Muratov, Karim; Gagosz, Fabien. “Confinement-Induced Selectivities in Gold(I) Catalysis-The Benefit of Using Bulky Tri-(ortho-biaryl)phosphine Ligands”. Angew. Chem., Int. Ed., 2022, 61 (28), e202203452.
  48. Montero Bastidas, Jose R.; Chhabra, Arzoo; Feng, Yilong; Oleskey, Thomas J.; Smith, Milton R., III; Maleczka, Robert E., Jr. “Steric Shielding Effects Induced by Intramolecular C-H···O Hydrogen Bonding: Remote Borylation Directed by Bpin Groups”. ACS Catal., 2022, 12 (4), 2694-2705.
  49. Matsuoka, Wataru; Harabuchi, Yu; Maeda, Satoshi. “Virtual Ligand-Assisted Screening Strategy to Discover Enabling Ligands for Transition Metal Catalysis”. ACS Catal., 2022, 12 (7), 3752-3766.
  50. Manicum, Amanda-Lee Ezra; Schutte-Smith, Marietjie; Malan, Frederick P.; Visser, Hendrik Gideon. “Steric and electronic influence of Re(I) tricarbonyl complexes with various coordinated β-diketones”. J. Mol. Struct., 2022, 1264, 133278.
  51. Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher. “Exploring steric and electronic parameters of biaryl phosphacycles”. New J. Chem., 2022, 46 (10), 4677-4686.
  52. Killian, Lars; Bienenmann, Roel L. M.; Broere, Daniel L. J. “Quantification of the steric properties of 1,8-naphthyridine based ligands in dinuclear complexes”. ChemRxiv, 2022, 1-9.
  53. Gerard, Theodore; Snyder, Graden; Zeller, Matthias; Dickie, Diane A.; Lee, Wei-Tsung. “Synthesis and structural characterization of a series of Co(II) NNN pincer complexes”. Polyhedron, 2022, 228, 116155.
  54. Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro. “Development of a novel scorpionate ligand with 6-methylpyridine and comparison of the structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates”. Dalton Trans., 2022, 51 (27), 10338-10342.
  55. Dodonov, Vladimir A.; Kushnerova, Olga A.; Rumyantsev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor L. “Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles”. Dalton Trans., 2022, 51 (10), 4113-4121.
  56. Crawford, Jennifer M.; Gensch, Tobias; Sigman, Matthew S.; Elward, Jennifer M.; Steves, Janelle E. “Impact of Phosphine Featurization Methods in Process Development”. Org. Process Res. Dev., 2022, 26 (4), 1115-1123.
  57. Carroll, Timothy G.; Ryan, David E.; Erickson, Jeremy D.; Bullock, R. Morris; Tran, Ba L. “Isolation of a Cu-H Monomer Enabled by Remote Steric Substitution of a N-Heterocyclic Carbene Ligand: Stoichiometric Insertion and Catalytic Hydroboration of Internal Alkenes”. J. Am. Chem. Soc., 2022, 144 (30), 13865-13873.
  58. Cammarota, Ryan C.; Liu, Wenbin; Bacsa, John; Davies, Huw M. L.; Sigman, Matthew S. “Mechanistically Guided Workflow for Relating Complex Reactive Site Topologies to Catalyst Performance in C-H Functionalization Reactions”. J. Am. Chem. Soc., 2022, 144 (4), 1881-1898.
  59. Alcaide, Maria M.; Pugliesi, Matteo; Alvarez, Eleuterio; Lopez-Serrano, Joaquin; Peloso, Riccardo. “New Phosphonite Ligands with High Steric Demand and Low Basicity: Synthesis, Structural Properties and Cyclometalated Complexes of Pt(II)”. Inorganics, 2022, 10 (8), 109.
  60. Twycross, Daniel; Davey, Christopher J.; Cole, Marcus L.; McKay, Alasdair I. “Stereoelectronic Characterization and Catalytic Potential of a 1,3-Bis(2,6-terphenyl)-Substituted N-Heterocyclic Carbene”. Eur. J. Inorg. Chem., 2021, 2021 (22), 2133-2140.
  61. Speelman, Amy L.; Tran, Ba L.; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris. “Accelerating the insertion reactions of (NHC)Cu-H via remote ligand functionalization”. Chem. Sci., 2021, Ahead of Print.
  62. Sanchez-Ferez, Francisco; Rius-Bartra, Joaquim Ma; Calvet, Teresa; Font-Bardia, Merce; Pons, Josefina. “Steric and Electronic Effects on the Structure and Photophysical Properties of Hg(II) Complexes”. Inorg. Chem., 2021, 60 (6), 3851-3870.
  63. Rad’kova, Natalia Yu; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Fukin, Georgy K.; Kovylina, Tatyana A.; Ob’edkov, Anatoly M.; Trifonov, Alexander A. “Bis(alkyl) Sc and Y Complexes Supported by Tri- and Tetradentate Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in α-Olefin and Isoprene Polymerization”. Eur. J. Inorg. Chem., 2021, 2021 (24), 2365-2373.
  64. Paterson, Alexander L.; Liu, Da-Jiang; Kanbur, Uddhav; Sadow, Aaron D.; Perras, Frederic A. “Observing the three-dimensional dynamics of supported metal complexes”. Inorg. Chem. Front., 2021, 8 (6), 1416-1431.
  65. Nishimura, Tsubasa; Ando, Yuki; Shinokubo, Hiroshi; Miyake, Yoshihiro. “Cationic Nickel(II) Pyridinophane Complexes: Synthesis, Structures and Catalytic Activities for C-H Oxidation”. Chem. Lett., 2021, 50 (5), 1049-1052.
  66. Newman-Stonebraker, Samuel H.; Smith, Sleight R.; Borowski, Julia E.; Peters, Ellyn; Gensch, Tobias; Johnson, Heather C.; Sigman, Matthew S.; Doyle, Abigail G. “Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis”. Science (Washington, DC, U. S.), 2021, 374 (6565), 301-308.
  67. Newman-Stonebraker, Samuel H.; Smith, Sleight R.; Borowski, Julia E.; Peters, Ellyn; Gensch, Tobias; Johnson, Heather C.; Sigman, Matthew S.; Doyle, Abigail G. “Linking mechanistic analysis of catalytic reactivity cliffs to ligand classification”. ChemRxiv, 2021, 1-23.
  68. Mueller, Lars; Nadurata, Vincent L.; Cula, Beatrice; Hoof, Santina; Herwig, Christian; Limberg, Christian. “Versatile Coordination Behavior of the Asymmetric Bis(3-mesityl-pyrazol-1-yl)(5-mesitylpyrazol-1-yl) Hydroborate Ligand towards Late 3d M2+ Ions”. Eur. J. Inorg. Chem., 2021, 2021 (1), 71-85.
  69. Meszaros, Janos P.; Pape, Veronika F. S.; Szakacs, Gergely; Nemeti, Gabor; Denes, Mark; Holczbauer, Tamas; May, Nora V.; Enyedy, Eva A. “Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity”. Dalton Trans., 2021, 50 (23), 8218-8231.
  70. Meng, Xiangxiang; Wang, Min; Hu, Changwei; Su, Zhishan. “Asymmetric [2 + 2] cycloaddition of isatin with ketene catalyzed by N,N’-dioxide-Sc(III) complex: Mechanism and selectivity”. Mol. Catal., 2021, 510, 111657.
  71. McFord, Aidan W.; Butts, Craig P.; Fey, Natalie; Alder, Roger W. “3x Axial vs 3x Equatorial: The ΔGGA Value Is a Robust Computational Measure of Substituent Steric Effects”. J. Am. Chem. Soc., 2021, 143 (34), 13573-13578.
  72. Kundu, Krishnendu; White, Jessica R. K.; Moehring, Samuel A.; Yu, Jason; Ziller, Joseph W.; Furche, Filipp; Evans, William J.; Hill, Stephen. “Clock transition due to a record 1240 G hyperfine interaction in a Lu(II) molecular spin qubit”. ChemRxiv, 2021, 1-89.
  73. Koby, Ross F.; Schley, Nathan D.; Hanusa, Timothy P. “Di(indenyl)beryllium”. Angew. Chem., Int. Ed., 2021, 60 (39), 21174-21178.
  74. Jenkins, Tener F.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “Synthesis of a Heteroleptic Pentamethylcyclopentadienyl Yttrium(II) Complex, [K(2.2.2-Cryptand)]{(C5Me5)2Y(II)[N(SiMe3)2]}, and Its C-H Bond Activated Y(III) Derivative”. Organometallics, 2021, 40 (23), 3917-3925.
  75. Wedal, Justin C.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J. “C-H Bond Activation via U(II) in the Reduction of Heteroleptic Bis(trimethylsilyl)amide U(III) Complexes”. Organometallics, 2020, 39 (18), 3425-3432.
  76. Wang, Min; Meng, Xiangxiang; Hu, Changwei; Su, Zhishan. “Selectivity control in inverse electron demand Diels-Alder reaction of o-Quinone methides catalyzed by chiral N,N’-Dioxide-Sc(III) complex”. Mol. Catal., 2020, 498, 111242.
  77. Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro. “Efficient alkane hydroxylation catalysis of nickel(II) complexes with oxazoline donor containing tripodal tetradentate ligands”. Dalton Trans., 2020, 49 (18), 6108-6118.
  78. Tatebe, Caleb J.; Matson, Ellen M.; Clark, Christopher L.; Kiernicki, John J.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C. “Low- and Mid-Valent Uranium Species Supported by Phenyltris(oxazolinyl)borate Ligands”. Organometallics, 2020, 39 (2), 353-360.
  79. Sokolov, Vladimir G.; Koptseva, Tatyana S.; Rumyantcev, Roman V.; Yang, Xiao-Juan; Zhao, Yanxia; Fedushkin, Igor L. “Reactivity of Aluminum Complexes of Redox-Active Ligand toward N-Heterocyclic Carbene and Its Thione”. Organometallics, 2020, 39 (1), 66-73.
  80. Selikhov, Alexander N.; Boronin, Egor N.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrey S.; Trifonov, Alexander A. “Tris(benzhydryl) and Cationic Bis(benzhydryl) Ln(III) Complexes: Exceptional Thermostability and Catalytic Activity in Olefin Hydroarylation and Hydrobenzylation with Substituted Pyridines”. Adv. Synth. Catal., 2020, 362 (23), 5432-5443.
  81. Nishinaka, Kumiko; Han, Jiandong; Han, Dongli; Liu, Yue; Du, Yanqing; Wang, Meiling; Eerdun, Chaolu; Naruse, Nobuyasu; Mera, Yutaka; Furusho, Yoshio; Tsuda, Akihiko. “A chiral metal-organic 1D-coordination polymer upon complexation of phenylene-bridged bipyrrole and palladium (II) ion”. Front. Chem. (Lausanne, Switz.), 2020, 8, 613932.
  82. Moehring, Samuel A.; Miehlich, Matthias; Hoerger, Christopher J.; Meyer, Karsten; Ziller, Joseph W.; Evans, William J. “A Room-Temperature Stable Y(II) Aryloxide: Using Steric Saturation to Kinetically Stabilize Y(II) Complexes”. Inorg. Chem., 2020, 59 (5), 3207-3214.
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