http://www.cnr.it/ontology/cnr/individuo/prodotto/ID292579
Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista)
- Type
- Label
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1021/jp408214p (literal)
- Alternative label
Pirani, Fernando; Cappelletti, David; Belpassi, Leonardo; Tarantelli, Francesco (2013)
Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer
in The journal of physical chemistry. A
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Pirani, Fernando; Cappelletti, David; Belpassi, Leonardo; Tarantelli, Francesco (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- University of Perugia; Consiglio Nazionale delle Ricerche (CNR) (literal)
- Titolo
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (literal)
- 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. (literal)
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- Autore CNR
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