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Abstract

Results of an ab initio SCF (4-31G) study of the potential energy surface of 4-aminobutanol are reported. Four different intramolecular hydrogen bonds are present in the various local minima: N … H[BOND]O, N[BOND]H … O, C4[BOND]H … O, N … H[BOND]C1. These interactions are discussed and compared with those present in the homologues 3-aminopropanol and 2-aminoethanol. © 1993 John Wiley & Sons, Inc.