Chemical Trends in Electronic Properties of Gold-3D Transition Metal Impurity Pairs in Silicon

1997 ◽  
Vol 469 ◽  
Author(s):  
J. F. Justo ◽  
L. V. C. Assali

ABSTRACTWe report theoretical investigations of the chemical trends in the electronic properties of substitutional gold-interstitial transition-metal complexes in silicon. The results show that the stable pairs in trigonal symmetry are formed by a covalent mechanism which includes, besides Au and TM impurities, also the Si neighbors, rather than being derived from interactions between two electrostatically bound point charges.

Polyhedron ◽  
2021 ◽  
pp. 115269
Author(s):  
Matthew T. Gole ◽  
Patrick Pauls ◽  
Sage F. Hartlaub ◽  
Chip Nataro ◽  
Lauren M. Rossiter ◽  
...  

2021 ◽  
Vol 60 (6) ◽  
pp. 4015-4025
Author(s):  
Alina A. Grineva ◽  
Oleg A. Filippov ◽  
Yves Canac ◽  
Jean-Baptiste Sortais ◽  
Sergei E. Nefedov ◽  
...  

1982 ◽  
Vol 37 (4) ◽  
pp. 463-467 ◽  
Author(s):  
A. Albini ◽  
H. Kisch ◽  
C. Krüger ◽  
An-Pei Chiang

Enneacarbonyldiiron reacts with 3,3,4,4-tetramethyl-1,2-diazetine (L) or its mono-N-oxide (L′) to form complexes (L)Fe(CO)4 (3), (L)Fe2(CO)7 (4), (L)Fe2(CO)6 (5), or (L′)Fe(CO)4 (6), and small amounts of deoxygenated 4 and 5, respectively. Formation and stability of the complexes is compared with those of ligands with smaller and larger ring sizes and discussed in terms of the electronic properties of the ligand lone-pair Orbitals. The molecular structure of 4 is established by X-ray analysis.


2019 ◽  
Vol 48 (37) ◽  
pp. 14164-14177 ◽  
Author(s):  
Abani Sarkar ◽  
Aratrika Chakraborty ◽  
Amit Adhikary ◽  
Suvendu Maity ◽  
Arnab Mandal ◽  
...  

Oxidation state dependent catecholase activity has been explored with Mn-Schiff-base complex which transform oxidation state from +ii to +iii in solution with time by combined experimental and theoretical investigations.


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