Vibrational Excitations of Polyatomic Molecules

2011 ◽  
pp. 263-282 ◽  
Author(s):  
Petr Čársky ◽  
Roman Čurík
Keyword(s):  
Polyatomic Molecules ◽  
Vibrational Excitations

An internal coordinate model for molecular vibrations: the energy levels of H2O and H2S and related isotopic molecules

1978 ◽  
Vol 56 (16) ◽  
pp. 2167-2172 ◽  
Author(s):  
Jan Bron ◽  
R. Wallace
Keyword(s):  
Potential Function ◽  
Energy Levels ◽  
Vibrational Analysis ◽  
Polyatomic Molecules ◽  
Bending Vibration ◽  
Relative Simplicity ◽  
Anharmonic Vibrations ◽  
Vibrational Excitations ◽  
Coordinate Model ◽  
Good Agreement

Refinement of a previously described model for describing the anharmonic vibrations of polyatomic molecules is presented. The nonlinear molecules XY2 (H2O, D2O, H2S, D2S) are used as examples and it is shown that quite good agreement with the observed spectrum can be obtained for the first twenty vibrational excitations with a six parameter potential function. Apart from its relative simplicity, the main improvement over previously reported work is the inclusion of the bending vibration within the formalism and refinement of the form of potential. It is pointed out that the model is readily extendable to the vibrational analysis of larger molecules.

Dissociation of Slow Polyatomic Molecules by Grazing Scattering at Surfaces

1996 ◽  
Vol 51 (10-11) ◽  
pp. 1144-1152
Author(s):  
L. Schmidt ◽  
A.M. Popova ◽  
V.V. Komarov ◽  
H. Jungclas
Keyword(s):  
Experimental Observation ◽  
Dissociation Energy ◽  
Grazing Incidence ◽  
Polyatomic Molecules ◽  
Time Dependent ◽  
Collective Excitations ◽  
Dissociation Probability ◽  
Complex Process ◽  
Grazing Scattering ◽  
Vibrational Excitations

Abstract We consider polyatomic molecules containing peripheral chains of valence groups, which slide along crystallic surfaces at grazing incidence. The periodically located Coulomb centres of the crystallic surfaces interact with the moving valence group dipoles like a time-dependent oscillation potential. This interaction can lead to multiple resonant vibrational excitations of the peripheral valence group dipoles. Accumulation of such collective excitations in the valence group chains (excimols) eventually can lead to the cleavage of particular bonds (trap bonds) inside the molecule. A model for this complex process is presented including a parameterised formula for the dissociation probability of polyatomic molecules scattered by a surface at grazing incidence. The model is supported by the experimental observation of dissociation energy thresholds.

Collective hyperspherical coordinates for polyatomic molecules and clusters

2000 ◽  
Vol 98 (21) ◽  
pp. 1763-1770 ◽  
Author(s):  
Vincenzo Aquilanti, Andrea Beddoni, Simonett
Keyword(s):  
Polyatomic Molecules ◽  
Hyperspherical Coordinates

Polyatomic molecules in a strong infrared field

1981 ◽  
Vol 134 (5) ◽  
pp. 45 ◽  
Author(s):  
V.S. Letokhov ◽  
A.A. Makarov
Keyword(s):  
Polyatomic Molecules

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

The symmetric C-D stretching spectator mode in the H+CHD3→H2+CD3 reaction and its effect on dynamical modeling

2021 ◽  
Author(s):  
Bin Zhao
Keyword(s):  
Transition State ◽  
Quantum Transition ◽  
Dynamical Modeling ◽  
Vibrational Excitations

The symmetric C-D stretching mode is a spectator mode in the H+CHD3→H2+CD3 reaction. Effects of multiple vibrational excitations of the CHD3 reactant are studied with the quantum transition-state (QTS) framework...

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