کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5427797 | 1508647 | 2016 | 10 صفحه PDF | دانلود رایگان |
- 12CH4 line list at 80Â K is theoretically modeled in the 6439-6800Â cmâ1 region.
- 2443 experimental line positions are reproduced with a 0.005Â cmâ1rms.
- 1644 experimental line intensities at 80Â K are modeled with 11% rms.
- The list of assigned lines with intensities at 80Â K is provided.
- 25 Vibrational energy levels of the lower part of the Icosad are determined.
Accurate rovibrational analysis of the lower part of the Icosad 12CH4 spectrum in the 6539-6800Â cmâ1 region is reported. The analysis uses the WKLMC experimental line list previously obtained in Grenoble by Cavity Ring Down Spectroscopy and Differential Absorption Spectroscopy at T=80Â K. Based on an ab initio potential energy surface, the full Hamiltonian of methane nuclear motion was reduced to an effective Hamiltonian using high-order Contact Transformations method with a subsequent empirical optimization of parameters. About 2445 experimental line positions were fitted with RMS standard deviations of 0.005Â cmâ1 and 1644 line intensities were modeled using effective dipole moment with the RMS deviation of 11.5%. Twenty five vibrational energy levels of the lower part of the Icosad were determined.
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 168, January 2016, Pages 207-216