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Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN

Wugt Larsen, René LU ; Hegelund, F and Nelander, Bengt LU (2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(20). p.4459-4463
Abstract
The high-resolution far-infrared absorption spectrum of the gaseous molecular complex H3N-HCN is recorded by means of static gas-phase Fourier transform far-infrared spectroscopy at 247 K, using a synchrotron radiation source. The spectrum contains distinct rotational structures which are assigned to the intermolecular NH3 libration band v(9)(1) (v(B)) of the pyramidal H3N-HCN complex. A rovibrational analysis based on a standard semirigid symmetric top molecule model yields the band origin of 260.03(10) cm(-1), together with values for the upper state rotational constant B' and the upper state quartic centrifugal distortion constants D'(J) and D'(JK). The values for the upper state spectroscopic constants indicate that the hydrogen bond... (More)
The high-resolution far-infrared absorption spectrum of the gaseous molecular complex H3N-HCN is recorded by means of static gas-phase Fourier transform far-infrared spectroscopy at 247 K, using a synchrotron radiation source. The spectrum contains distinct rotational structures which are assigned to the intermolecular NH3 libration band v(9)(1) (v(B)) of the pyramidal H3N-HCN complex. A rovibrational analysis based on a standard semirigid symmetric top molecule model yields the band origin of 260.03(10) cm(-1), together with values for the upper state rotational constant B' and the upper state quartic centrifugal distortion constants D'(J) and D'(JK). The values for the upper state spectroscopic constants indicate that the hydrogen bond in the H3N-HCN complex is destabilized by 5% and elongates by 0.010 angstrom upon excitation of a quantum of libration of the hydrogen bond acceptor molecule. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
volume
109
issue
20
pages
4459 - 4463
publisher
The American Chemical Society
external identifiers
  • wos:000229296200007
  • scopus:20344406490
ISSN
1520-5215
DOI
10.1021/jp044740w
language
English
LU publication?
yes
id
98288e1e-e10f-48c7-ad0b-31c5253218d4 (old id 151911)
date added to LUP
2007-07-03 14:16:25
date last changed
2017-01-01 07:03:56
@article{98288e1e-e10f-48c7-ad0b-31c5253218d4,
  abstract     = {The high-resolution far-infrared absorption spectrum of the gaseous molecular complex H3N-HCN is recorded by means of static gas-phase Fourier transform far-infrared spectroscopy at 247 K, using a synchrotron radiation source. The spectrum contains distinct rotational structures which are assigned to the intermolecular NH3 libration band v(9)(1) (v(B)) of the pyramidal H3N-HCN complex. A rovibrational analysis based on a standard semirigid symmetric top molecule model yields the band origin of 260.03(10) cm(-1), together with values for the upper state rotational constant B' and the upper state quartic centrifugal distortion constants D'(J) and D'(JK). The values for the upper state spectroscopic constants indicate that the hydrogen bond in the H3N-HCN complex is destabilized by 5% and elongates by 0.010 angstrom upon excitation of a quantum of libration of the hydrogen bond acceptor molecule.},
  author       = {Wugt Larsen, René and Hegelund, F and Nelander, Bengt},
  issn         = {1520-5215},
  language     = {eng},
  number       = {20},
  pages        = {4459--4463},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory},
  title        = {Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN},
  url          = {http://dx.doi.org/10.1021/jp044740w},
  volume       = {109},
  year         = {2005},
}