Theoretical study on isomerization of M2X4 molecules (M = B, Al; H = F) with transformation of the covalent X2M-MX2 bond into M+·[MX4]−

✍ Scribed by V.G. Zakzhevskii; O.P. Charkin

• Publisher: Elsevier Science
• Year: 1982
• Tongue: English
• Weight: 347 KB
• Volume: 90
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(82)83623-3

✦ Synopsis

Potential energy surhccs of B,H.,, AlBH4, &Ha and E12r4, AlElT4, A12F4 wcrc calcuhtcd ab null0 usmg doublczctd basis sets. Unhke B2F4 with a symmetric;71 covalent structure X,B-BXp, the salt-hkc struti rlrc hlt[hlX4]-appcara lo bc xl-VantagCoUs [or AIBX, and A12&, although the symmctricllX2M-hlX2 and donor-acccptor Xh!-MX, structures arc clor in energy l.Introduction

The structure of the boron and other group Illb halides (MpHa14) has been reported in a number of papers [1,2]. Electron diffraction of gaseous BzFh and B2C14 reveal their symmetrxal structure X2B-BX2