Vibrational line shifts of hydrogen halides in a rare gas environment: HF/DF and HC1/DC1 in Ar matrices and clusters

1996 ◽  
Vol 259 (1-2) ◽  
pp. 62-68 ◽  
Author(s):  
Burkhard Schmidt ◽  
Pavel Jungwirth
1997 ◽  
Vol 101 (27) ◽  
pp. 4852-4859 ◽  
Author(s):  
G. Knopp ◽  
M. Schmitt ◽  
A. Materny ◽  
W. Kiefer

ChemInform ◽  
2010 ◽  
Vol 28 (39) ◽  
pp. no-no
Author(s):  
G. KNOPP ◽  
M. SCHMITT ◽  
A. MATERNY ◽  
W. KIEFER

1981 ◽  
Vol 74 (4) ◽  
pp. 2133-2137 ◽  
Author(s):  
M. R. Keenan ◽  
L. W. Buxton ◽  
E. J. Campbell ◽  
A. C. Legon ◽  
W. H. Flygare

2000 ◽  
Vol 112 (8) ◽  
pp. 3803-3811 ◽  
Author(s):  
Martin Lorenz ◽  
Dieter Kraus ◽  
Markku Räsänen ◽  
Vladimir E. Bondybey

2004 ◽  
Vol 76 (1) ◽  
pp. 241-246 ◽  
Author(s):  
A. Medina ◽  
J. M. M. Roco ◽  
A. C. Hernández ◽  
S. Velasco

Near-infrared spectra of HCl highly diluted in liquid Ar show intense absorption in the P-R interbranch region, so-called Q-branch absorption. In spite of its relevance for the shape of the bands, its physical origin has been elusive to date. We employ molecular dynamics simulations to study the influence of some physical effects that could contribute to Q-branch absorption. We check that multipole-induced dipole induction mechanisms are not quantitatively relevant in this spectral region. We show that the particular characteristics of accurate HCl-Ar anisotropic potentials and the peculiar hindered rotational motion they provoke on the diatomic probe are essential to understand Q-branch absorption.


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