Abstract
Calculations by both ab initio (STO-3G) and MINDO/3 methods have been carried out for the ions (H n X·H·XH n ) m (X = B, C, N, O, F, Si, P, S and Cl; n = 1,2,3; m = ±1) and (HYCH 2CH 2CH 2Y) m (Y = CH 2, NH 2, NH, O, F; m = ±1). Fully optimized geometries have been obtained for all species. The orbital nature of a bridging hydrogen bond in these compounds is discussed.
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