Aromaticity in all-metal annular systems: the counter-ion effect
作者： Arindam Chakraborty , Santanab Giri , Soma Duley , Anakuthil Anoop , Patrick Bultinck
DOI: 10.1039/C1CP21430F
关键词:
摘要: The effect of counterions on the bonding, stability and aromaticity trigonal dianion metal clusters has been analyzed through behavior various conceptual density functional theory based reactivity descriptors nucleus independent chemical shift calculated at different levels theory, comprising one-determinant approaches beyond (QCISD, CASSCF(8,8) NEVPT2), for a proper benchmarking. Although several important insights into counter-ion effects are obtained, much needs to be done in order have transparent idea therein.
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