Abstract
The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.
| Original language | English |
|---|---|
| Pages (from-to) | 329-334 |
| Number of pages | 6 |
| Journal | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy |
| Volume | 53 |
| Issue number | 3 PART A |
| Publication status | Published - 1 Mar 1997 |
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Keywords
- Centrifugal parameters
- Harmonic frequencies
- Local modes
ASJC Scopus subject areas
- Analytical Chemistry
- Atomic and Molecular Physics, and Optics
- Instrumentation
- Spectroscopy
Cite this
On the study of XY2 (my ≪ mx) plane molecules. / Ulenikov, O. N.; Yurchenko, S. N.; Tolchenov, R. N.
In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 53, No. 3 PART A, 01.03.1997, p. 329-334.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - On the study of XY2 (my ≪ mx) plane molecules
AU - Ulenikov, O. N.
AU - Yurchenko, S. N.
AU - Tolchenov, R. N.
PY - 1997/3/1
Y1 - 1997/3/1
N2 - The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.
AB - The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.
KW - Centrifugal parameters
KW - Harmonic frequencies
KW - Local modes
UR - http://www.scopus.com/inward/record.url?scp=0042762365&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0042762365&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0042762365
VL - 53
SP - 329
EP - 334
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
SN - 1386-1425
IS - 3 PART A
ER -