| H(2)O--N(2) collision-induced absorption band intensity in the region of the N(2) fundamental: ab initio investigation of its temperature dependence and comparison with laboratory data. | |
| | |
MedLine Citation:
|
PMID: 22547239 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
|
The present paper aims at ab initio and laboratory evaluation of the N(2) collision-induced absorption band intensity arising from interactions between N(2) and H(2)O molecules at wavelengths of around 4 μm. Quantum chemical calculations were performed in the space of five intermolecular coordinates and varying N--N bond length using Møller-Plesset perturbation and CCSD(T) methods with extrapolation of the electronic energy to the complete basis set. This made it possible to construct the intermolecular potential energy surface and to define the surface of the N--N dipole derivative with respect to internal coordinate. The intensity of the nitrogen fundamental was then calculated as a function of temperature using classical integration. Experimental spectra were recorded with a BOMEM DA3-002 FTIR spectrometer and 2 m base-length multipass White cell. Measurements were conducted at temperatures of 326, 339, 352 and 363 K. The retrieved water-nitrogen continuum significantly deviates from the MT_CKD model because the relatively strong nitrogen absorption induced by H(2)O was not included in this model. Substantial uncertainties in the measurements of the H(2)O-N(2) continuum meant that quantification of any temperature dependence was not possible. The comparison of the integrated N(2) fundamental band intensity with our theoretical estimates shows reasonably good agreement. Theory indicates that the intensity as a function of temperature has a minimum at approximately 500 K. |
| | |
Authors:
|
Yu I Baranov; I A Buryak; S E Lokshtanov; V A Lukyanchenko; A A Vigasin |
Related Documents
:
|
12096999 - Electron heating in the measurement of electron temperature by thomson scattering: are ... 17677909 - Stochastic extraction of periodic attosecond bunches from relativistic electron beams. 12006039 - Trapping, compression, and acceleration of an electron bunch in the nonlinear laser wak... 16712369 - Heating by an electron bernstein wave in a spherical tokamak plasma via mode conversion. 22627099 - Ab initio calculations of the forbidden bragg reflections energy spectra in wurtzites v... 22775149 - Intersublevel spectroscopy on single inas-quantum dots by terahertz near-field microscopy. 22182979 - Palladium/tin bimetallic single-crystalline hollow nanospheres. 7327949 - Cytochemical localization of photosystem ii donor sites. 17134279 - Synthesis and properties of a fluorene-capped isotruxene: a new unsymmetrical star-shap... |
Publication Detail:
|
Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
|
Title: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences Volume: 370 ISSN: 1364-503X ISO Abbreviation: Philos Trans A Math Phys Eng Sci Publication Date: 2012 Jun |
Date Detail:
|
Created Date: 2012-05-01 Completed Date: 2012-06-13 Revised Date: 2013-04-24 |
Medline Journal Info:
|
Nlm Unique ID: 101133385 Medline TA: Philos Trans A Math Phys Eng Sci Country: England |
Other Details:
|
Languages: eng Pagination: 2691-709 Citation Subset: - |
Affiliation:
|
Institute of Experimental Meteorology, 4 Pobedy Street, Kaluzhskaya Oblast, Obninsk 249038, Russia. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Infrared shifts of the water dimer from the fully flexible ab initio HBB2 potential.
Next Document: State-resolved spectroscopy of high vibrational levels of water up to the dissociative continuum.