Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Date: May 12, 2011
Creator: Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
Description: This article discusses a mechanistic study of hydrogen atom transfer by an isolable iron (III) imido complex, LᴹᵉFeNAd (Lᴹᵉ = bulky β-diketiminate ligand, 2,4-bis(2,6-diisopropylphenylimido)pentyl; Ad = 1-adamantyl).
Contributing Partner: UNT College of Arts and Sciences
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

Date: July 13, 2006
Creator: Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Description: This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Contributing Partner: UNT College of Arts and Sciences
High-Valent Transition-Metal Alkylidene Complexes: Effect of Ligand and Substituent Modification

High-Valent Transition-Metal Alkylidene Complexes: Effect of Ligand and Substituent Modification

Date: 1992
Creator: Cundari, Thomas R., 1964- & Gordon, Mark S.
Description: This article discusses the effects of ligand and substituent modification on the metal-carbon double bond. The main conclusion drawn from this work is that the intrinsic nature of the metal-carbon double bond can typically be changed only within certain limits by modification of the electronegativity of the ligands (L) and substituents (Z).
Contributing Partner: UNT College of Arts and Sciences
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

Date: April 4, 1998
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Description: This article discusses modeling nonlinear optical properties of transition metal complexes.
Contributing Partner: UNT College of Arts and Sciences
Oxovanadium(IV) Complexes of Substituted N-(2-Thiophenyl)Salicylideneimine

Oxovanadium(IV) Complexes of Substituted N-(2-Thiophenyl)Salicylideneimine

Date: June 1970
Creator: Lee, Cheng Chang
Description: In an effort to study the spectral, magnetic, and stereochemical properties of vanadyl complexes, both a new series of vanadyl complexes derived from type (VII) ligands with subnormal magnetic moment and from type (VIII) ligands with normal magnetic moment are synthesized and characterized.
Contributing Partner: UNT Libraries
Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]

Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]

Date: February 22, 2011
Creator: Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
Description: Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Contributing Partner: UNT College of Arts and Sciences
Variable Pathways for Oxygen Atom Insertion into Metal-Carbon Bonds: The Case of Cp*W(O)₂(CH₂SiMe₃)

Variable Pathways for Oxygen Atom Insertion into Metal-Carbon Bonds: The Case of Cp*W(O)₂(CH₂SiMe₃)

Date: December 24, 2012
Creator: Mei, Jiajun; Carsch, Kurtis M.; Freitag, Cody R.; Gunnoe, T. Brent & Cundari, Thomas R., 1964-
Description: This article discusses variable pathways for oxygen atom insertion into metal-carbon bonds.
Contributing Partner: UNT College of Arts and Sciences
Synthetic Approaches to (smif)₂Ti (smif=1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation

Synthetic Approaches to (smif)₂Ti (smif=1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation

Date: July 25, 2012
Creator: Frazier, Brenda A.; Wolczanski, Peter T.; Keresztes, Ivan; DeBeer, Serena 1973-; Lobkovsky, Emil B.; Pierpont, Aaron W. et al.
Description: Article discussing a study of (smif)₂Ti(smif=1,3-di-(2-pyridyl)-2-azaallyl) molecules.
Contributing Partner: UNT College of Arts and Sciences
A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

Date: March 15, 2003
Creator: Cooney, Katharine D.; Cundari, Thomas R., 1964-; Hoffman, Norris W.; Pittard, Karl A.; Temple, M. Danielle & Zhao, Yong
Description: This article discusses research that has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands.
Contributing Partner: UNT College of Arts and Sciences
Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes

Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes

Date: August 30, 2012
Creator: Hanley, Patrick S.; Marquard, Seth L.; Cundari, Thomas R., 1964- & Hartwig, John F.
Description: This article discusses reductive elimination of alkylamines from low-valent, alkylpalladium(II) amido complexes.
Contributing Partner: UNT College of Arts and Sciences
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