Rodlike compounds between group IIIA and group VA elements: A new class of inorganic polymers

Research output

Abstract

The structure and thermodynamic parameters of [HMYH]n (M = B, Al, Ga, In; Y = N, P, As; n = 10, 13, 16) oligomers are calculated by the B3LYP/LANL2DZ(d, p) method. For any MY pair, the rodlike structure is more stable than the fullerene-like structure and its stability increases with increasing n. The isolated squares rule is inapplicable to these systems and cannot serve as a basis for search for the most stable oligomers. The formation of [HMYH]n oligomers from hydrides in the gas phase is thermodynamically favorable even at high temperatures (1000 K). The existence of rodlike inorganic polymers with a backbone consisting of fused M 3Y3 rings is predicted.

Original languageEnglish
Pages (from-to)1232-1234
Number of pages3
JournalRussian Journal of Inorganic Chemistry
Volume50
Issue number8
Publication statusPublished - Aug 2005

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Scopus subject areas

  • Inorganic Chemistry

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