Limitations of a Theoretical Method to Calculate the Rovibrational Spectrum of Trimers: H $$^+_3$$
Tóm tắt
A method proposed to assign the symmetry character of the rovibrational spectrum of trimers has been applied to the case of H
$$^+_3$$
. This system, much lighter than previously investigated rare gas three body molecules such as Ar
$$_3$$
or Ne
$$_3$$
, constitutes a challenging example to test the possible limitations of this approach. Calculation of the corresponding rovibrational spectra for
$$J=1$$
and rotational constants and the corresponding comparison with results from hyperspherical coordinates methods reveals that distorsion Coriolis coupling terms, not accounted for in the original method, play a significant role for some specific symmetry representations.
Tài liệu tham khảo
M. Márquez-Mijares, T. González-Lezana, O. Roncero, S. Miret-Artés, G. Delgado-Barrio, P. Villarreal, Chem. Phys. Lett. 460, 417 (2008)
M. Márquez-Mijares, R. Pérez de Tudela, T. González-Lezana, O. Roncero, S. Miret-Artes, G. Delgado-Barrio, P. Villarreal, I. Baccarelli, F.A. Gianturco, J. Rubayo-Soneira, J. Chem. Phys. 130(15), 154301 (2009)
M. Márquez-Mijares, O. Roncero, P. Villarreal, T. González-Lezana, Eur. Phys. J. D (submitted)
T. Oka, Rev. Mod. Phys. 64(4), 1141 (1992)
S. Miller, J. Tennyson, Chem. Soc. Rev. 21, 281 (1992)
J. Tennyson, Rep. Prog. Phys. 58(4), 421 (1995)
G.D. Carney, R.N. Porter, Phys. Rev. Lett. 45, 537 (1980)
S. Miller, J. Tennyson, J. Mol. Spectrosc. 126(1), 183 (1987)
S. Miller, J. Tennyson, J. Mol. Spectrosc. 128(2), 530 (1988)
C.P. Morong, J.L. Gottfried, T. Oka, J. Mol. Spectrosc. 255(1), 13 (2009)
J. Tennyson, O.L. Polyansky, N.F. Zobov, A. Alijah, A.G. Császár, J. Phys. B Atom. Mol. Opt. Phys. 50(23), 232001 (2017)
T. González-Lezana, J. Rubayo-Soneira, S. Miret-Artés, F.A. Gianturco, G. Delgado-Barrio, P. Villarreal, Phys. Rev. Lett. 82, 1648 (1999)
I. Baccarelli, F.A. Gianturco, T. González-Lezana, G. Delgado-Barrio, S. Miret-Artés, P. Villarreal, Phys. Rep. 452, 1 (2007)
H.W. Kroto, Molecular Rotation Spectra (Dover Publications, New York, 1992)
G.W. King, R.M. Hainer, P.C. Cross, J. Chem. Phys. 11, 27 (1942)
H.H. Nielsen, Rev. Mod. Phys 23, 90 (1951)
B.S. Ray, Z. Phys. 78, 74 (1932)
A. Aguado, O. Roncero, C. Tablero, C. Sanz, M. Paniagua, J. Chem. Phys. 112(3), 1240 (2000)
J.K.G. Watson, J. Mol. Spectrosc. 103, 350 (1984)
C.L. Chen, B. Maessen, M. Wolfsberg, J. Chem. Phys. 83, 1795 (1985)
T. Oka, J. Chem. Phys. 47(12), 5410 (1967)
F. Karlický, B. Lepetit, R. Kalus, F.X. Gadéa, J. Chem. Phys. 126(17), 174305 (2007)