The gas phase vibrational spectroscopy of the protonated ammonia dimer N2H7+, a prototypical system for strong hydrogen bonding, is studied in the spectral region from 330 to 1650 cm(-1) by combining infrared multiple photon dissociation and multidimensional quantum mechanical simulations. The fundamental transition of the antisymmetric proton stretching vibration is observed at 374 cm(-1) and assigned on the basis of a six-dimensional model Hamiltonian, which predicts this transition at 471 cm(-1). Photodissociation spectra of the larger protonated ammonia clusters NH4+(NH3)(n) with n=2-4 are also reported for the range from 1050 to 1575 cm(-1). The main absorption features can be assigned within the harmonic approximation, supporting earlier evidence that hydrogen bonding in these clusters is considerably weaker than for n=1.

Vibrational signatures of hydrogen bonding in the protonated ammonia clusters NH4+(NH3)(1-4) / Yang, Y; Kuhn, O; Santambrogio, Gabriele; Goebbert, Dj; Asmis, Kr. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 129:22(2008), pp. 224302-1-8. [10.1063/1.3028211]

Vibrational signatures of hydrogen bonding in the protonated ammonia clusters NH4+(NH3)(1-4)

SANTAMBROGIO, GABRIELE;
2008

Abstract

The gas phase vibrational spectroscopy of the protonated ammonia dimer N2H7+, a prototypical system for strong hydrogen bonding, is studied in the spectral region from 330 to 1650 cm(-1) by combining infrared multiple photon dissociation and multidimensional quantum mechanical simulations. The fundamental transition of the antisymmetric proton stretching vibration is observed at 374 cm(-1) and assigned on the basis of a six-dimensional model Hamiltonian, which predicts this transition at 471 cm(-1). Photodissociation spectra of the larger protonated ammonia clusters NH4+(NH3)(n) with n=2-4 are also reported for the range from 1050 to 1575 cm(-1). The main absorption features can be assigned within the harmonic approximation, supporting earlier evidence that hydrogen bonding in these clusters is considerably weaker than for n=1.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11696/29431
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