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

1982 ◽  
Vol 104 (22) ◽  
pp. 5987-5992 ◽  
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

Synthesis of uranium complexes incorporating extended azo-imine ligands: Molecular and electronic structure

2021 ◽  
pp. 100049
Author(s):  
Poulami Pattanayak ◽  
Sankar Prasad Parua ◽  
Debprasad Patra ◽  
Ashoke Prasun Chattopadhyay ◽  
Surajit Chattopadhyay
Keyword(s):  
Electronic Structure ◽  
Uranium Complexes ◽  
Imine Ligands ◽  
Molecular And Electronic Structure

scholarly journals Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs

2014 ◽  
Vol 136 (34) ◽  
pp. 11980-11993 ◽  
Author(s):  
Anna-Corina Schmidt ◽  
Frank W. Heinemann ◽  
Wayne W. Lukens ◽  
Karsten Meyer
Keyword(s):  
Electronic Structure ◽  
Structural Motifs ◽  
Oxo Complexes ◽  
Molecular And Electronic Structure

Theory Of 3d Transition Metal Defects In 3C SiC

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.

scholarly journals Crystal, molecular and electronic structure of 1,1-diaryl-2-halogenoethylenes

1967 ◽  
Vol 8 (5) ◽  
pp. 433-433 ◽  
Author(s):  
Gian Luigi Casalone ◽  
Carla Mariani ◽  
Angelo Mugnoli ◽  
Massimo Simonetta
Keyword(s):  
Electronic Structure ◽  
Molecular And Electronic Structure
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