Abstract
Specific features of changes of molecular dipole characteristics upon isotopic substitution are discussed. On the basis of the operator perturbation theory and the group theory, analytic expressions are obtained for the first time for six expansion parameters of an effective dipole moment (\(^{{{{a}_{i}}}}{{\mu }_{1}}\), \(^{{{{a}_{i}}}}{{\mu }_{4}}\), \(^{{{{a}_{i}}}}{{\mu }_{5}}\), \(^{{{{a}_{i}}}}{{\mu }_{9}}\), \(^{{{{a}_{i}}}}{{\mu }_{{12}}}\), and \(^{{{{a}_{i}}}}{{\mu }_{{14}}}\)) in the case of the nonsymmetric substitution XYZ \( \leftarrow \) XY2. The expressions that yield relationship between the equilibrium dipole moment and the first dipole moment derivatives of a “parent” molecule and an isotopically substituted molecule are obtained. For the example of the 32S16O2, 34S16O2, 32S18O2, and 32S16O18O molecules, the parameters of an effective dipole moment are numerically calculated.
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REFERENCES
S. Self, M. R. Rampino, and J. J. Barbera, J. Volcanol. Geotherm. Res. 11, 41 (1981). https://doi.org/10.1016/0377-0273(81)90074-3
M. P. McCormic, L. W. Thomason, and C. R. Trepte, Nature (London, U.K.) 373, 399 (1995). https://doi.org/10.1038/373399a0
J. M. Flaud and and C. Camy-Peyret, J. Mol. Spectrosc. 55, 278 (1975). https://doi.org/10.1016/0022-2852(75)90270-2
C. Camy-Peyret and J. M. Flaud, Molecular Spectroscopy: Modern Research (Academic, Orlando, 1985), Vol. 3.
K. Sarka, S. O. Danielache, A. Kondorskiy, and S. Nanbu, Chem. Phys. 516, 108 (2019). https://doi.org/10.1016/j.chemphys.2018.08.045
E. V. Karlovets and V. I. Perevalov, Opt. Spectrosc. 119, 16 (2015). https://doi.org/10.1134/S0030400X15070139
F. A. Gangemi, J. Chem. Phys. 39, 3490 (1963). https://doi.org/10.1063/1.1734218
V. I. Perevalov, E. I. Lobodenko, O. M. Lyulin, and J. L. Teffo, J. Mol. Spectrosc. 171, 435 (1995). https://doi.org/10.1006/jmsp.1995.1131
J. K. G. Watson, Mol. Phys. 15, 479 (1968). https://doi.org/10.1080/00268976800101381
D. Papousek and M. R. Aliev, Molecular Vibration–Rotation Spectra (Elsevier, Amsterdam, Oxford, New York, 1982).
H. H. Nielsen, Rev. Mod. Phys. 23, 90 (1951). https://doi.org/10.1103/RevModPhys.23.90
B. J. Howard and R. E. Moss, Mol. Phys. 19, 433 (1970). https://doi.org/10.1080/00268977000101471
F. Jorgensen and T. Pedersen, Mol. Phys. 27, 33 (1974). https://doi.org/10.1080/00268977400100041
O. N. Ulenikov, R. N. Tochenov, and Qing-Shi Zhu, Spectrosc. Acta, A 52, 1829 (1996). https://doi.org/10.1016/S0584-8539(96)01749-7
D. Patel, D. Margolese, and T. R. Dyke, J. Chem. Phys. 70, 2740 (1979). https://doi.org/10.1063/1.437860
C. Secroun, A. Barbe, and P. Jouve, J. Mol. Spectrosc. 45, 1 (1973). https://doi.org/10.1016/0022-2852(73)90170-7
A. D. Bykov, Yu. S. Makushkin, and O. N. Ulenikov, J. Mol. Spectrosc. 85, 462 (1981). https://doi.org/10.1016/0022-2852(81)90217-4
S. S. Shostak, W. L. Ebenstein, and J. S. Muenter, J. Chem. Phys. 94, 5875 (1991). https://doi.org/10.1063/1.460471
C. Camy-Peyret and J. M. Flaud, Mol. Phys. 32, 499 (1976). https://doi.org/10.1080/00268977600103251
L. Halonen and T. Carrington, Jr., J. Chem. Phys. 88, 4171 (1988). https://doi.org/10.1063/1.453824
R. A. Toth, J. Mol. Spectr. 162, 20 (1993). https://doi.org/10.1006/jmsp.1993.1266
O. N. Ulenikov, E. S. Bekhtereva, S. Alanko, V.-M. Horneman, O. V. Gromova, and C. Leroy, J. Mol. Spectrosc. 257, 137 (2009). https://doi.org/10.1016/j.jms.2009.07.005
O. N. Ulenikov, E. S. Bekhtereva, Y. Krivchikova, V. A. Zamotaeva, T. Buttersack, C. Sydow, and S. Bauerecker, J. Quant. Spectrosc. Radiat. Transfer 168, 29 (2016). https://doi.org/10.1016/j.jqsrt.2015.08.010
P. M. Chu, S. J. Wetzel, W. J. Lafferty, A. Perrin, J. M. Flaud, Ph. Arcas, and G. Guelachvili, J. Mol. Spectrosc. 189, 55 (1998). https://doi.org/10.1006/jmsp.1997.7517
J. M. Flaud, W. J. Lafferty, and R. L. Sams, J. Quant. Spectrosc. Radiat. Transfer 110, 669 (2009). https://doi.org/10.1016/j.jqsrt.2008.12.003
O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, M. Quack, G. C. Mellau, C. Sydow, and S. Bauerecker, J. Quant. Spectrosc. Radiat. Transfer 210, 141 (2018). https://doi.org/10.1016/j.jqsrt.2018.02.010
O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, A. G. Ziatkova, M. Quack, G. Ch. Mellau, C. Sydow, and S. Bauerecker, J. Quant. Spectrosc. Radiat. Transfer 229, 166 (2019). https://doi.org/10.1016/j.jqsrt.2018.11.031
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This work was supported by the Russian Foundation for Basic Research, grant no. 18-32-00116 mol_a.
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Translated by V. Bulychev
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Zyatkova, A.G., Belova, A.S., Gromova, O.V. et al. The Influence of Isotopic Substitution on the Expansion Parameters of an Effective Dipole Moment in Molecules of XY2/XYZ Type. Opt. Spectrosc. 127, 385–394 (2019). https://doi.org/10.1134/S0030400X19090285
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DOI: https://doi.org/10.1134/S0030400X19090285