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DOI

Structural and thermodynamic characteristics of donor-acceptor complexes LA·E′H2EH2·LB were computed by the B3LYP-D3/def2-TZVP quantum chemical method [E = B, Al, Ga; E′ = P, As, Sb; LA are Lewis acids of group 13 elements ER3 (R = H, Me, F, Cl, Br, I, C6F5) and transition metal carbonyls Fe(CO)4, M(CO)5 (M = Cr, Mo, W), CpMn(CO)2; Lewis bases LB = NMe3, SMe2]. It was shown that removal of a Lewis base is less endothermic than removal of a Lewis acid. Stability trends of the complexes depending on the nature of group 13/15 elements and Lewis acids were established. Pentacarbonyltungsten has the highest stabilization effect.
Язык оригиналаанглийский
Страницы (с-по)900-908
Число страниц9
ЖурналRussian Journal of General Chemistry
Том93
Номер выпуска4
DOI
СостояниеОпубликовано - 25 мая 2023

    Области исследований

  • group 13/15 element hydrides, Lewis acids, Lewis bases, donor-acceptor bond, quantum chemical calculations

    Предметные области Scopus

  • Химия (все)

ID: 105514958