Binuclear sandwich and multi-decker sandwich compounds of alkali and alkaline-earth metals: a quantum chemical study View Full Text


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Article Info

DATE

2015-03

AUTHORS

T. N. Gribanova, O. A. Gapurenko, R. M. Minyaev, V. I. Minkin

ABSTRACT

The structures, stabilities, and energy characteristics of simple and multi-decker binuclear sandwich compounds of alkali and alkaline-earth metals with cyclobutadiene, cyclopentadiene, and benzene rings were studied within the framework of the density functional theory by the B3LYP/6-311+G** method. Stable electronic structures of the multi-decker sandwich complexes studied can be formed if the sum of the number of valence electrons of metal atoms and the number of basal-ring π-electrons is 8n – 2, where n is the number of basal rings. Factors responsible for steric and electronic stabilization of such systems as well as co-operative effects associated with changes in the electronic and structural properties of the complexes upon chain extension are analyzed. More... »

PAGES

540-550

References to SciGraph publications

  • 2013-02. Binuclear sandwich and multidecker sandwich systems: A quantum-chemical study in DOKLADY CHEMISTRY
  • 2001-12. Induced aromaticity in RUSSIAN CHEMICAL BULLETIN
  • Identifiers

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    http://scigraph.springernature.com/pub.10.1007/s11172-015-0898-2

    DOI

    http://dx.doi.org/10.1007/s11172-015-0898-2

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