Transition from Hydrogen Bonding to Ionization in (HCl)n(NH3)n and (HCl)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy
- 21 August 2001
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (36) , 8323-8332
- https://doi.org/10.1021/jp011567k
Abstract
No abstract availableThis publication has 40 references indexed in Scilit:
- Formation of ammonium halide particles from pure ammonia and hydrogen halide gases: A theoretical study on small molecular clusters (NH3–HX)n (n=1, 2, 4; X=F, Cl, Br)The Journal of Chemical Physics, 2001
- Anharmonic Vibrational Spectroscopy of Hydrogen-Bonded Systems Directly Computed from ab Initio Potential Surfaces: (H2O)n, n = 2, 3; Cl-(H2O)n, n = 1, 2; H+(H2O)n, n = 1, 2; H2O−CH3OHThe Journal of Physical Chemistry A, 2000
- Unraveling Environmental Effects on Hydrogen-Bonded Complexes: Matrix Effects on the Structures and Proton-Stretching Frequencies of Hydrogen−Halide Complexes with Ammonia and TrimethylamineJournal of the American Chemical Society, 2000
- The influence of water molecules on the proton position in H3N–HX (X=F,Cl,Br) complexesChemical Physics Letters, 1999
- Ab Initio Study of Gas-Phase Proton Transfer in Ammonia−Hydrogen Halides and the Influence of Water MoleculesThe Journal of Physical Chemistry A, 1999
- Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent fieldThe Journal of Chemical Physics, 1999
- Direct formation of solid ammonium chloride particles from HCl and NH3 vaporsThe Journal of Chemical Physics, 1999
- Ab Initio Investigation of Proton Transfer in Ammonia−Hydrogen Chloride and the Effect of Water Molecules in the Gas PhaseThe Journal of Physical Chemistry A, 1998
- A comparative study of anharmonicity and matrix effects on the complexes XH:NH3, X=F, Cl, and BrThe Journal of Chemical Physics, 1998
- Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale FactorsThe Journal of Physical Chemistry, 1996