Computational chemistry of the silicon nitride surface. 2. Binary hydroxylamine complexes. Geometry and bond energies

In order to study the silicon nitride surface it is interesting to consider hydrogen-bonded complexes with hydroxyl and amine key groups (OH...O, OH...N, NH...O, and NH...N). To investigate the behavior of the above bonds, we considered the water, ammonia, and hydroxylamine dimers and the binary hydroxylamine complexes with water and ammonia. The results of this work are compared with the data obtained by an ab initio method. © 1996 Plenum Publishing Corporation.