Abstract
1. Donor-acceptor interactions between silicon, phosphorus, and sulfur halides and the nitrogen atom in the ammonia molecule were studied theoretically by applying the LCAO-MO method in the MNDO approximation. 2. According to the calculation, an approximation of a supermolecule with a complete optimization of geometry shows that the strength of the donor-acceptor bond in complexes with NH3 decreases in the series PCl3 > SiF4 > SiCl4 > SCl2 > PF3 > SF2, while heat of the formation and charge transfer are higher in complexes of silicon, phosphorus, and sulfur halides with ammonia molecules than in the corresponding complexes with formaldehyde.
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Schedule a callMore From: Bulletin of the Academy of Sciences of the USSR Division of Chemical Science
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