DOI

Main group bis-element sandwiches formed by donor-acceptor interactions of MCp and ECp (M = Li, Na, K; E = B, Al, Ga) have been studied at the B3LYP/pVDZ level of theory. The most stable are boron-containing species which are stabilized by electrostatic interactions, while other compounds are destabilized. The stability of the donor-acceptor bond decreases in the row B > Al > Ga for donors and Li > Na > K for acceptors. The Cp* group enhances donor properties by 10-15 kJ mol -1. We predict that these new compounds are viable synthetic targets.

Язык оригиналаанглийский
Страницы (с-по)3343-3345
Число страниц3
ЖурналOrganometallics
Том24
Номер выпуска13
DOI
СостояниеОпубликовано - 20 июн 2005

    Предметные области Scopus

  • Неорганическая химия
  • Органическая химия

ID: 17372835