Record Details

Enhancing the double exchange interaction in a mixed valence {V-III-V-II} pair: a theoretical perspective

DSpace at IIT Bombay

View Archive Info
 
 
Field Value
 
Title Enhancing the double exchange interaction in a mixed valence {V-III-V-II} pair: a theoretical perspective
 
Creator GHOSH, S
SINGH, SK
TEWARY, S
RAJARAMAN, G
 
Subject BRIDGED DIVANADIUM COMPLEXES
TO-DELOCALIZED TRANSITION
HIGH-SPIN MOLECULES
ELECTRON DELOCALIZATION
MAGNETIC-PROPERTIES
DFT DESCRIPTION
GROUND-STATE
CLUSTERS
INTERPLAY
SYSTEMS
 
Description Combined DFT-TD-DFT methodology has been employed to fully characterise a mixed valence {V-II-V-III} complex of molecular formula [(PY5Me2)(2)V-2(m-5,6-dimethylbenzimidazolate)](4+). These calculations offer viable ways to enhance double-exchange parameters - a key ingredient in the synthesis of SMMs.
 
Publisher ROYAL SOC CHEMISTRY
 
Date 2014-10-16T13:33:03Z
2014-10-16T13:33:03Z
2013
 
Type Article
 
Identifier DALTON TRANSACTIONS, 42(47)16490-16493
1477-9226
1477-9234
http://dx.doi.org/10.1039/c3dt51935j
http://dspace.library.iitb.ac.in/jspui/handle/100/15675
 
Language en