Research output: Contribution to journal › Article › peer-review
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.
Original language | English |
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Pages (from-to) | 3343-3345 |
Number of pages | 3 |
Journal | Organometallics |
Volume | 24 |
Issue number | 13 |
DOIs | |
State | Published - 20 Jun 2005 |
ID: 17372835