title: Intermolecular interaction in the NH3-H2 and H2O-H2 complexes by molecular beam scattering experiments: the role of charge transfer.
abstract: New molecular beam scattering experiments are reported for the ammonia-hydrogen system recording with unprecedented resolution "glory" quantum interferences in the total cross sections. Direct comparison with the analogous water-hydrogen complex, investigated under the same experimental conditions, highlights relevant differences in the intermolecular interaction affecting the observables. Analysis of the electronic charge displacement accompanying formation of both complexes, calculated using very accurate ab initio methods, helps to rationalize the experimental findings and unveils the selective and crucial role of charge transfer in driving water interactions and formation of a weak hydrogen bond.
authors.affiliation: Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia , via elce di Sotto, 8, Perugia 06123, Italy.
authors.forename: Fernando
authors.initials: F
authors.lastname: Pirani
authors.forename: David
authors.initials: D
authors.lastname: Cappelletti
authors.forename: Leonardo
authors.initials: L
authors.lastname: Belpassi
authors.forename: Francesco
authors.initials: F
authors.lastname: Tarantelli