Details of the global fit involving several isotopomers are available in
(1) H. S. P. Müller, F. Schlöder, J. Stutzki, and G. Winnewisser, 2005, J. Mol. Struct. 742, 215.
The pure rotational lines were taken from
(2) M. Bogey, C. Demuynck, and J. L. Destombes, 1981, Chem. Phys. Lett., 81, 256;from
(3) M. Bogey, C. Demuynck, and J. L. Destombes, 1982, J. Mol. Spectrosc., 95, 35;from
(4) V. Ahrens and G. Winnewisser, 1999, Z. Naturforsch. 54a, 131;
(5) E. Kim and S. Yamamoto, 2003, J. Mol. Spectrosc., 219, 296; and from
(6) C. A. Gottlieb, P. C. Myers, and P. Thaddeus 2003, Astrophys. J., 588, 655. Infrared transitions v = 1 – 0 for several isotopomers and v = 2 – 1 for the main isotopomer by
(7) J. B. Burkholder, E. R. Lovejoy, P. D. Hammer, and C. J. Howard 1987, J. Mol. Spectrosc. 124, 450;
v = 1 – 0 to v = 9 – 8 of the main isotopomer by
(8) R. S. Ram, P. F. Bernath, and S. P. Davies, 1995, J. Mol. Spectrosc. 173, 146;
and v = 2 – 0 of the main isotopomer by
(9) R. J. Winkel, Jr., S. P. Davies, R. Pecyner, and J. W. Brault; 1984, Can. J. Phys. 62, 1414
were also used in the fit.
In general, lines deviating from their calculated position by more than 2.5 times their uncertainties have been omitted from the final fit. Transition frequencies with uncertainties >= 100 kHz have not been merged.
The dipole moment was assumed to be the same as for the main isotopomer, see e044501.cat.
All vibrational states used in the fit have been considered for the calculation of the partition function. Contributions of the individual vibrations are given in parentheses.