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Stabilization of boron clusters with classical fullerene structures by combined doping effect: a quantum chemical study

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Abstract

A combined approach (endohedral doping and exohedral environment) to stabilization of boron clusters with classical fullerene structures has been studied. The boron clusters with classical fullerene structures are stable when heteroatomic part of the complex (endohedral atom and exohedral environment) donates in total 18 electrons to the composite system, stability of which depends on the coordination capabilities and donor ability of the endohedral and surrounding atoms. The most effective stabilization is achieved in the case of the endohedral transition metals atoms, whereas the most effective environment is given by the lithium surrounding.

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Acknowledgments

The work was supported by the Russian Science Foundation (Grant 16-13-10050).

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  1. Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 Stachka Ave, Rostov on Don, Russian Federation, 344090

    Tatyana N. Gribanova, Ruslan M. Minyaev & Vladimir I. Minkin

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  1. Tatyana N. Gribanova
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  2. Ruslan M. Minyaev
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  3. Vladimir I. Minkin
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Correspondence to Ruslan M. Minyaev.

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Gribanova, T.N., Minyaev, R.M. & Minkin, V.I. Stabilization of boron clusters with classical fullerene structures by combined doping effect: a quantum chemical study. Struct Chem 29, 327–340 (2018). https://doi.org/10.1007/s11224-017-1031-y

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