W. Siebrand et Mz. Zgierski, Theoretical study of the excited-state proton-transfer threshold in 1-naphthol-ammonia complexes, CHEM P LETT, 320(1-2), 2000, pp. 153-160
To help resolve the controversy about the number of ammonia molecules neede
d to achieve excited-state proton transfer in l-naphthol-ammonia complexes
in the vapour phase, we report the results of ab initio calculations on the
structure and energy of complexes with three and four ammonias. Our result
s indicate that at least four ammonias are needed to produce a stable excit
ed ammonium naphtholate conformer. (C) 2000 Elsevier Science B.V. All right
s reserved.