The partition sum of methane at high temperature

Ch. Wenger1, J.P. Champion1, V. Boudon1
1Institut Carnot de Bourgogne - UMR 5209, CNRS - Université de Bourgogne, 9, av. Alain Savary, B.P. 47870, F-21078 Dijon Cedex, France

Tài liệu tham khảo

Wiedemann, 2001, A sensitive search for methane in the infrared spectrum of tau bootis, Astrophys J, 546, 1068, 10.1086/318316 Sengupta, 2000, Line formation in the atmosphere of brown dwarf gliese 229b: CH4 at 23μm, Astron Astrophys, 358, L33 Swain, 2008, The presence of methane in the atmosphere of an extrasolar planet, Nature, 452, 329, 10.1038/nature06823 Goldman, 2000, Hitran partition functions and weighted transition-moments squared, JQSRT, 66, 455, 10.1016/S0022-4073(99)00176-4 Fischer, 2003, Total internal partition sums for molecular species in the 2000 edition of the hitran database, JQSRT, 82, 401, 10.1016/S0022-4073(03)00166-3 McDowell, 1987, Rotational partition-functions for spherical-top molecules, JQSRT, 38, 337, 10.1016/0022-4073(87)90028-8 Rothman, 2005, The hitran 2004 molecular spectroscopic database, JQSRT, 96, 139, 10.1016/j.jqsrt.2004.10.008 Chakraborty, 2004, Calculation of converged rovibrational energies and partition function for methane using vibrational–rotational configuration interaction, J Chem Phys, 121, 2071, 10.1063/1.1759627 Thievin, 2008, High temperature emission spectroscopy of methane, JQSRT, 109, 2027, 10.1016/j.jqsrt.2008.01.023 Champion, 1992, Spherical top spectra, 339 Boudon, 2004, Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups, J Mol Spectrosc, 228, 620, 10.1016/j.jms.2004.02.022 Champion, 1977, Développement complet de l’hamiltonien de vibration–rotation adapté à l’étude des interactions dans les molécules toupies sphériques. Application aux bandes ν2 et ν4 de 12CH4, Can J Phys, 55, 1802, 10.1139/p77-221 Berger, 1977, Classification of energy levels for polyatomic molecules, J Phys, 38, 1371, 10.1051/jphys:0197700380110137100 Wenger, 1998, STDS spherical top data system. A software for the simulation of spherical top spectra, JQSRT, 59, 471, 10.1016/S0022-4073(97)00106-4 Nikitin A, Boudon V, Champion JP, Albert S, Bauerecker S, Quack M, et al. Global frequency and infrared intensity analysis of 12CH4 lines in the 900–4800cm-1 region. In: 61st international symposium on molecular spectroscopy, Columbus, Ohio; 2006 〈http://hdl.handle.net/1811/30962〉 and paper to appear. Borysov, 2002, Towards simulation of high temperature methane spectra, Mol Phys, 100, 3585, 10.1080/00268970210161430 Bancewicz, 2005, The derivation of the characteristic function and the spectral density distribution of a hamiltonian of n-coupled morse oscillators, Int J Quantum Chem, 102, 31, 10.1002/qua.20283 Gribov, 2007, Spectroscopic calculation of the bond-dissociation energy of CH bonds in fluoro derivatives of methane, ethane, ethene, propene, and benzene, J Struct Chem, 48, 400, 10.1007/s10947-007-0061-5 Sadovskii, 1995, Counting levels within vibrational polyads: generating function approach, J Chem Phys, 103, 10520, 10.1063/1.469836