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General regularities in the behavior of dipole moment functions of diatomic molecules at small internuclear separations

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Abstract

Based on the united atom model and the LS-coupling approximation, dipole moment functions were calculated for some diatomic molecules at small internuclear separations R. Families of molecules belonging to united atoms Li(2 S), Na(2 S), B(1 P), Al(1 P), and O(1 D) were considered. It was shown that dipole moment functions at R → 0 satisfy the asymptotic dependence μ(R) =AR 3. The regularities in the behavior of the functions μ(R) were determined depending on the electronic state and nuclei charges of molecules. The obtained systematic features are in good agreement with the results calculated for molecules whose united atoms are in groups II, IV, V, VII, and VIII of the Periodic Table.

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References

  1. A. D. Bykov, T. V. Kruglova, and O. V. Naumenko, Asymptotic Perturbation Theory and Vibrational-Rotational Spectra of Multiatomic Molecules, Optical Spectroscopy and Frequency Standards. Molecular Spectroscopy, Ed. by L. N. Sinitsa and E. A. Vinogradov (IOA SO RAN, Tomsk, 2004), pp. 232–292.

    Google Scholar 

  2. L. C. Owono Owono, N. Jaidane, M. G. Kwato Njock, and Z. Ben Lakhdar, “Theoretical Investigation of Excited and Rydberg States of Imidogen Radical NH: Potential Energy Curves, Spectroscopic Constants, and Dipole Moment Functions,” J. Chem. Phys., 126(24), 244302 (2007).

  3. I. S. Urn, Won Chai Lee, Yoon Sup Lee, and Gwang-Hi Jeung, “Theoretical Investigation of RbCs via Two-Component Spin-Orbit Pseudopotentials: Spectroscopic Constants and Permanent Dipole Moment Functions,” J. Chem. Phys. 124(23), 234307 (2006).

  4. J. F. Harrison, “Relationship between the Charge Distribution and Dipole Moment Functions of CO and the Related Molecules CS, SiO, and SiS,” J. Phys. Chem. A 110(37), 10848 (2006).

    Google Scholar 

  5. G. Gidofalvi and D. Mazziotti, “Variational Reduced-Density-Matrix Theory Applied to the Potential Energy Surfaces of Carbon Monoxide in the Presence of Electric Fields,” J. Phys. Chem. A 110(16), 5481 (2006).

    Article  Google Scholar 

  6. J. M. H. Lo and M. Klobukowski, “Computational Studies of One-Electron Properties of Lithium Hydride in Confinement,” Chem. Phys. 328(1–3), 132 (2006).

    Article  ADS  Google Scholar 

  7. D. Talbi and M. C. Bacchus-Montabonel, “Formation of HF through Radiative Association in the Early Universe,” Chem. Phys. Lett. 443(1–3), 40 (2007).

    Article  ADS  Google Scholar 

  8. L. T. Ueno, L. R. Marim, A. Dal Pino Jr., F. R. Ornellas, and F. B. C. Machado, “Transition Probabilities and Spectroscopic Properties of the Low-Lying States of GeC Molecule,” Chem. Phys. Lett. 432(1–3), 11 (2006).

    Article  ADS  Google Scholar 

  9. J. M. Hure and E. Roueff, “Oscillator Strengths for IR Rovibrational Transitions of CO,” J. Mol. Spectrosc. 160(2), 335 (1993).

    Article  ADS  Google Scholar 

  10. J. F. Ogilvie and R. H. Tipping, “Theoretical Herman-Wallis Coefficients for C z0 and D z0 and the Dipole-Moment Function of HCl,” J. Quant. Spectr. and Radiat. Transfer 33(2), 145 (1985).

    Article  ADS  Google Scholar 

  11. J. F. Ogilvie, W. R. Rodwell, and R. H. Tipping, “Dipole Moment Functions of the Hydrogen Halides,” J. Chem. Phys. 73(10), 5221 (1980).

    Article  ADS  Google Scholar 

  12. M. A. Buldakov and V. N. Cherepanov, “The Semiempirical Dipole Moment Functions of the Molecules HX (X = F, Cl, Br, I, O), CO and NO,” J. Phys. B: At. Mol. Opt. Phys. 37(19), 3973 (2004).

    Article  ADS  Google Scholar 

  13. M. A. Buldakov and V. N. Cherepanov, “Semi-Empirical Dipole Moment Functions of CO and NO Molecules,” Opt. Atm. Okeana 17(1), 42 (2004) [Atm. Ocean Opt.].

    Google Scholar 

  14. M. A. Buldakov, V. N. Cherepanov, and Yu. N. Kalugina, “Semi-Empirical Dipole Moment Function of the LiH Molecule,” Opt. Atm. Okeana 17(12), 1036 (2004) [Atm. Ocean Opt.].

    Google Scholar 

  15. M. A. Buldakov, E. V. Koryukina, V. N. Cherepanov, and Yu. N. Kalugina, “Theoretical Study of the Dipole Moment Function of the OH Radical at Small Internuclear Distances,” Opt. Atm. Okeana 20(1), 21 (2007) [Atm. Ocean Opt.].

    Google Scholar 

  16. M. A. Buldakov, E. V. Koryukina, V. N. Cherepanov, and Yu. N. Kalugina, “Theoretical Study of Dipole Moment Functions of HF, HCl, and HBr Molecules at Small Internuclear Distances,” Izv. Vyssh. Uchebn. Zaved. Fiz. 49(11), 71 (2006).

    Google Scholar 

  17. M. A. Buldakov, E. V. Koryukina, V. N. Cherepanov, and Yu. N. Kalugina, “Dipole Moment Function of MeH Molecules (Mee = Li, Na, K),” Izv. Vyssh. Uchebn. Zaved. Fiz. 50(6), 13 (2007).

    Google Scholar 

  18. M. A. Buldakov, E. V. Koryukina, V. N. Cherepanov, and Yu. N. Kalugina, “Regularities in the Behavior of Dipole Moment Functions of Diatomic Molecules at Small Internuclear Separations,” Phys. Rev. A78(3), 032516 (2008).

  19. A. Messia, Quantum Mechanics. Vol. 2 (Nauka, Moscow, 1979; Dover, New York, 1999).

    Google Scholar 

  20. Ch. Froese-Fischer, “The MCHF Atomic Structure Package,” Comput. Phys. Commun. 64(3), 369 (1991).

    Article  ADS  Google Scholar 

  21. G. Hertsberg, Spectra and Structure of Diatomic Molecules (IL, Moscow, 1949); Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules (D. Van Nostrand, Princeton, 1950).

    Google Scholar 

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Original Russian Text © M.A. Buldakov, E.V. Koryukina, V.N. Cherepanov, 2009, published in Optika Atmosfery i Okeana.

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Buldakov, M.A., Koryukina, E.V. & Cherepanov, V.N. General regularities in the behavior of dipole moment functions of diatomic molecules at small internuclear separations. Atmos Ocean Opt 22, 135–142 (2009). https://doi.org/10.1134/S1024856009020018

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