A Chakraborty
Articles written in Journal of Chemical Sciences
Volume 121 Issue 5 September 2009 pp 849-858
Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters
S Duley S Giri A Chakraborty P K Chattaraj
Several sandwich-like metal clusters have been studied at the B3LYP/6-311 + G∗ level of theory. Bonding and reactivity have been analysed through various geometrical parameters and conceptual density functional theory based global reactivity descriptors. Aromaticity patterns have been understood in terms of the associated nucleus independent chemical shift values. Possibility of bond-stretch isomerism in some doped clusters is explored. Preferable sites for electrophilic and nucleophilic attacks have been identified using different local reactivity descriptors.
Volume 134, 2022
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2021-2022 Indian Academy of Sciences, Bengaluru.