In:
Molecules, MDPI AG, Vol. 28, No. 1 ( 2022-12-26), p. 183-
Abstract:
Boron hydrides have been an object of intensive theoretical and experimental investigation for many decades due to their unusual and somewhat unique bonding patterns. Despite boron being a neighboring element to carbon, boron hydrides almost always form non-classical structures with multi-center bonds. However, we expect indium to form its interesting molecules with non-classical patterns, though such molecules still need to be extensively studied theoretically. In this work, we investigated indium hydrides of In2Hx (x = 0–4,6) and In3Hy (y = 0–5) series via DFT and ab initio quantum chemistry methods, performing a global minimum search, chemical bonding analysis, and studies of their thermodynamical stability. We found that the bonding pattern of indium hydrides differs from the classical structures composed of 1c-2e lone pairs and 2c-2e bonds and the bonding pattern of earlier investigated boron hydrides of the BnHn+2 series. The studied stoichiometries are characterized by multi-center bonds, aromaticity, and the tendency for indium to preserve the 1c-2e lone pair.
Type of Medium:
Online Resource
ISSN:
1420-3049
DOI:
10.3390/molecules28010183
Language:
English
Publisher:
MDPI AG
Publication Date:
2022
detail.hit.zdb_id:
2008644-1
