Electronic Structure and Reactivity of High-Spin Iron−Alkyl- and −Pterinperoxo Complexes

2003 ◽  
Vol 42 (2) ◽  
pp. 469-481 ◽  
Author(s):  
Nicolai Lehnert ◽  
Kiyoshi Fujisawa ◽  
Edward I. Solomon
2019 ◽  
Vol 58 (2) ◽  
pp. 1252-1266 ◽  
Author(s):  
Brett M. Hakey ◽  
Jonathan M. Darmon ◽  
Yu Zhang ◽  
Jeffrey L. Petersen ◽  
Carsten Milsmann

1983 ◽  
Vol 78 (3) ◽  
pp. 1453-1458 ◽  
Author(s):  
Roshun Birdy ◽  
D. V. Behere ◽  
S. Mitra

2004 ◽  
Vol 2004 (23) ◽  
pp. 4537-4537
Author(s):  
Abhik Ghosh ◽  
Espen Tangen ◽  
Hege Ryeng ◽  
Peter�R. Taylor

2004 ◽  
Vol 2004 (23) ◽  
pp. 4555-4560 ◽  
Author(s):  
Abhik Ghosh ◽  
Espen Tangen ◽  
Hege Ryeng ◽  
Peter�R. Taylor

1996 ◽  
Vol 442 ◽  
Author(s):  
Harald Overhof

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.


2017 ◽  
Vol 56 (18) ◽  
pp. 11030-11042 ◽  
Author(s):  
Rafał Grubba ◽  
Kinga Kaniewska ◽  
Łukasz Ponikiewski ◽  
Beata Cristóvão ◽  
Wiesława Ferenc ◽  
...  

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