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Observation and assignment of the hot band nu(2)+nu(1)(9)-nu(1)(9) in (HCN)(2)

Wugt Larsen, René LU ; Hegelund, F and Nelander, Bengt LU (2004) In Physical Chemistry Chemical Physics 6(12). p.3077-3080
Abstract
The high-resolution infrared absorption spectrum for (HCN)(2) in the spectral region 3100-3300 cm(-1) is recorded in a static multipass cell at 240 K under equilibrium conditions. The spectrum shows extensive rovibrational structures which are due to the bound C-H stretching vibration band nu(2) of (HCN)(2) and several hot bands associated to nu(2). We manage to assign 63 new rovibrational transitions [P(97) to R(98)] associated with the nu(2) band leading to an extended analysis of the nu(2) band. This enables the assignment of 60 rovibrational transitions associated with the hot band nu(2) + nu(9)(1) - nu(9)(1) in (HCN)(2) together with the first rovibrational analysis of this hot band. The determined positive value of the anharmonicity... (More)
The high-resolution infrared absorption spectrum for (HCN)(2) in the spectral region 3100-3300 cm(-1) is recorded in a static multipass cell at 240 K under equilibrium conditions. The spectrum shows extensive rovibrational structures which are due to the bound C-H stretching vibration band nu(2) of (HCN)(2) and several hot bands associated to nu(2). We manage to assign 63 new rovibrational transitions [P(97) to R(98)] associated with the nu(2) band leading to an extended analysis of the nu(2) band. This enables the assignment of 60 rovibrational transitions associated with the hot band nu(2) + nu(9)(1) - nu(9)(1) in (HCN)(2) together with the first rovibrational analysis of this hot band. The determined positive value of the anharmonicity constant X-2,X-9 of 0.2569(13) cm(-1) indicates that the intermolecular low-frequency bending vibration nu(9)(1) increases in frequency upon simultaneous excitation of the nu(2) mode. This result confirms that the HCN dimer is stiffer and more tightly bound upon vibrational excitation of the bound C-H stretching mode. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
6
issue
12
pages
3077 - 3080
publisher
Royal Society of Chemistry
external identifiers
  • wos:000222826200005
  • scopus:3142686576
ISSN
1463-9084
DOI
10.1039/b404462b
language
English
LU publication?
yes
id
65604f48-ebad-4c97-b395-c9eee43f78ca (old id 138982)
date added to LUP
2007-07-03 14:04:11
date last changed
2017-01-01 06:49:33
@article{65604f48-ebad-4c97-b395-c9eee43f78ca,
  abstract     = {The high-resolution infrared absorption spectrum for (HCN)(2) in the spectral region 3100-3300 cm(-1) is recorded in a static multipass cell at 240 K under equilibrium conditions. The spectrum shows extensive rovibrational structures which are due to the bound C-H stretching vibration band nu(2) of (HCN)(2) and several hot bands associated to nu(2). We manage to assign 63 new rovibrational transitions [P(97) to R(98)] associated with the nu(2) band leading to an extended analysis of the nu(2) band. This enables the assignment of 60 rovibrational transitions associated with the hot band nu(2) + nu(9)(1) - nu(9)(1) in (HCN)(2) together with the first rovibrational analysis of this hot band. The determined positive value of the anharmonicity constant X-2,X-9 of 0.2569(13) cm(-1) indicates that the intermolecular low-frequency bending vibration nu(9)(1) increases in frequency upon simultaneous excitation of the nu(2) mode. This result confirms that the HCN dimer is stiffer and more tightly bound upon vibrational excitation of the bound C-H stretching mode.},
  author       = {Wugt Larsen, René and Hegelund, F and Nelander, Bengt},
  issn         = {1463-9084},
  language     = {eng},
  number       = {12},
  pages        = {3077--3080},
  publisher    = {Royal Society of Chemistry},
  series       = {Physical Chemistry Chemical Physics},
  title        = {Observation and assignment of the hot band nu(2)+nu(1)(9)-nu(1)(9) in (HCN)(2)},
  url          = {http://dx.doi.org/10.1039/b404462b},
  volume       = {6},
  year         = {2004},
}