One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical

Amanda Grass; James A. Bellow; Gregory Morrison; Hans-Conrad zur Loye; Richard L. Lord; Stanislav Groysman

doi:10.1039/d0cc03028g

One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical

Chemical Communications ◽

10.1039/d0cc03028g ◽

2020 ◽

Vol 56 (60) ◽

pp. 8416-8419

Author(s):

Amanda Grass ◽

James A. Bellow ◽

Gregory Morrison ◽

Hans-Conrad zur Loye ◽

Richard L. Lord ◽

...

Keyword(s):

Electronic Structure ◽

High Spin ◽

Ligand Environment ◽

Electron Reduction ◽

High Valent

Synthesis, electronic structure, and reactivity of a novel Co(ii) carbene radical in the bis(alkoxide) ligand environment are reported.

Theory Of 3d Transition Metal Defects In 3C SiC

MRS Proceedings ◽

10.1557/proc-442-637 ◽

1996 ◽

Vol 442 ◽

Author(s):

Harald Overhof

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Electronic Properties ◽

Crystal Field ◽

High Spin ◽

Crystal Field Splitting ◽

Large Crystal ◽

Field Splitting ◽

Vacancy Model ◽

The Difference

AbstractThe electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

Electronic Structure of Gallium, Copper, and Nickel Complexes of Corrole. High-Valent Transition Metal Centers versus Noninnocent Ligands

Journal of the American Chemical Society ◽

10.1021/ja9943243 ◽

2000 ◽

Vol 122 (21) ◽

pp. 5100-5104 ◽

Cited By ~ 126

Author(s):

Abhik Ghosh ◽

Tebikie Wondimagegn ◽

Andreas B. J. Parusel

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Nickel Complexes ◽

Metal Centers ◽

High Valent

ChemInform Abstract: MOLECULAR AND ELECTRONIC STRUCTURE OF A MIXED-SPIN DIIRON “WEDGED” METALLACARBORANE, (ME2C2B4H4)2(FEII(LOW-SPIN))(FEII(HIGH-SPIN))L2 (L2 = (THF)2 OR (MEO)2C2H4), AN OXIDATIVE FUSION INTERMEDIATE

Chemischer Informationsdienst ◽

10.1002/chin.198304081 ◽

1983 ◽

Vol 14 (4) ◽

Author(s):

R. N. GRIMES ◽

R. B. MAYNARD ◽

E. SINN ◽

G. A. BREWER ◽

G. J. LONG

Keyword(s):

Electronic Structure ◽

High Spin ◽

Mixed Spin ◽

Molecular And Electronic Structure

Electronic Structure of N ‐Bridged High‐Valent Diiron‐Oxo

Chemistry - A European Journal ◽

10.1002/chem.201902766 ◽

2019 ◽

Vol 25 (54) ◽

pp. 12491-12496 ◽

Cited By ~ 4

Author(s):

Quan Manh Phung ◽

Kristine Pierloot

Keyword(s):

Electronic Structure ◽

High Valent

Synthesis and Electronic Structure of Neutral Square-Planar High-Spin Iron(II) Complexes Supported by a Dianionic Pincer Ligand

Inorganic Chemistry ◽

10.1021/acs.inorgchem.8b02730 ◽

2019 ◽

Vol 58 (2) ◽

pp. 1252-1266 ◽

Cited By ~ 12

Author(s):

Brett M. Hakey ◽

Jonathan M. Darmon ◽

Yu Zhang ◽

Jeffrey L. Petersen ◽

Carsten Milsmann

Keyword(s):

Electronic Structure ◽

High Spin ◽

Pincer Ligand ◽

Square Planar ◽

High Spin Iron

Electronic structure and magnetic properties of high-spin octahedral Co(II) complexes: Co(II)(acac)2(H2O)2

The Journal of Chemical Physics ◽

10.1063/1.480365 ◽

1999 ◽

Vol 111 (22) ◽

pp. 10148-10158 ◽

Cited By ~ 35

Author(s):

Lawrence L. Lohr ◽

Jeremy C. Miller ◽

Robert R. Sharp

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

High Spin

High-valent bis(oxo)-bridged dinuclear manganese oxamates: Synthesis, crystal structures, magnetic properties, and electronic structure calculations of bis(μ-oxo)dimanganese(IV) complexes with a binucleating o-phenylenedioxamate ligand

Inorganica Chimica Acta ◽

10.1016/j.ica.2006.07.064 ◽

2007 ◽

Vol 360 (1) ◽

pp. 221-232 ◽

Cited By ~ 12

Author(s):

Rafael Ruiz-García ◽

Emilio Pardo ◽

M. Carmen Muñoz ◽

Joan Cano

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

Crystal Structures ◽

Electronic Structure Calculations ◽

High Valent ◽

Structure Calculations

Planar Three-Coordinate High-Spin FeIIComplexes with Large Orbital Angular Momentum: Mössbauer, Electron Paramagnetic Resonance, and Electronic Structure Studies

Journal of the American Chemical Society ◽

10.1021/ja012327l ◽

2002 ◽

Vol 124 (12) ◽

pp. 3012-3025 ◽

Cited By ~ 119

Author(s):

Hanspeter Andres ◽

Emile L. Bominaar ◽

Jeremy M. Smith ◽

Nathan A. Eckert ◽

Patrick L. Holland ◽

...

Keyword(s):

Electron Paramagnetic Resonance ◽

Electronic Structure ◽

Angular Momentum ◽

High Spin ◽

Orbital Angular Momentum ◽

Paramagnetic Resonance ◽

Electron Paramagnetic

Molecular and electronic structure of a mixed-spin diiron "wedged" metallacarborane, (Me2C2B4H4)2[FeII(low-spin)][FeII(high-spin)]L2 [L2 = (THF)2 or (MeO)2C2H4], an oxidative fusion intermediate

Journal of the American Chemical Society ◽

10.1021/ja00386a026 ◽

1982 ◽

Vol 104 (22) ◽

pp. 5987-5992 ◽

Cited By ~ 22

Author(s):

Russell N. Grimes ◽

Richard B. Maynard ◽

Ekk Sinn ◽

Greg A. Brewer ◽

Gary J. Long

Keyword(s):

Electronic Structure ◽

High Spin ◽

Mixed Spin ◽

Molecular And Electronic Structure

Dioxygen Binding to Deoxyhemocyanin: Electronic Structure and Mechanism of the Spin-Forbidden Two-Electron Reduction of O2

Journal of the American Chemical Society ◽

10.1021/ja004166b ◽

2001 ◽

Vol 123 (21) ◽

pp. 4938-4950 ◽

Cited By ~ 95

Author(s):

Markus Metz ◽

Edward I. Solomon

Keyword(s):

Electronic Structure ◽

Electron Reduction