J/A+A/6XX/AYYY Laboratory spectroscopic study of CH3(34)SH (Zakharenko+, 2019) ================================================================================ Laboratory spectroscopic study of CH3(34)SH: LRotational spectroscopy of isotopic species of methyl mercaptan at millimeter and submillimeter wavelengths: CH3(34)SH. Zakharenko O., Lewen F., Ilyushin V.V., Mueller H.S.P., Schlemmer S., Alekseev A.A., Krapivin I., Xu L.-H., Lees R.M., Garrod R., Belloche A., Menten K.M. =2019A&A...6XXA.YYYZ (SIMBAD/NED BibCode) ================================================================================ ADC_Keywords: Molecular physics ; Models Keywords: methods: laboratory: molecular - techniques: spectroscopic - ISM: molecules - astrochemistry - ISM: abundances - radio lines: ISM Abstract: Methyl mercaptan (CH3SH) is an important sulfur-bearing species in the interstellar medium, terrestrial environment, and potentially in planetary atmospheres. The aim of the present study is to provide accurate spectro- scopic parameters for the most abundant minor isotopolog CH3(34)SH to support radio astronomical observations at millimeter and submillimeter wavelengths. The rotational spectrum of CH3(34)SH, which is complicated by the large-amplitude internal rotation of the CH3 group versus the (34)SH frame, was investigated in the 49-510 GHz and 1.1-1.5 THz frequency ranges in natural isotopic abundance. The analysis of the spectrum was performed up to the second excited torsional state, and the obtained data were modeled with the RAM36 program. A fit within experimental accuracy was obtained with a RAM Hamiltonian model that uses 72 parameters. Predictions based on this fit are used to search for CH3(34)SH with the Atacama Large Millimeter/ submillimeter Array (ALMA) toward the hot molecular core Sgr B2(N2), but blends with emission lines of other species prevent its firm identification in this source. Description: input and output files. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file input_34S.txt 153 3610 input text file for the program RAM36 output_34S.txt 191 14023 output text file from the program RAM36 -------------------------------------------------------------------------------- Description of file: input_34S.txt The first 4 lines contain information about the operating mode of the program. The next 6 lines remind the user of the format of the Hamiltonian parameters. Then the list of parameters used in the fit is given. The line &&&END,,,,,,,,, signals the end of this list. The parameter values are given in cm^-1^. Each line with a Hamiltonian parameter contains the parameter name, a set of 7 integers that define the associated quantum mechanical operator, a value for the parameter (i.e., for the coefficient of this operator), the diagonalization stage in which the particular parameter is used, and a float/fix flag. The actual term is encoded by the set of 7 integers, which are the powers of operators from the Hamiltonian expression. Thus: k - (the first integer) corresponds to the power of J**2, n - (the second integer) corresponds to the power of Jz, p,q - are powers of Jx, Jy, r - is the power of pa, s - (the sixth integer) defines the argument of cos(3sa), t - (the seventh integer) defines the argument of sin(3ta). The next 7 lines contain the information necessary for the fitting process and the predictions calculation. Then the list of measured transition frequencies is given. First a measured frequency is given. Then the assignment quantum numbers are given. They are followed by the include/exclude switch 'ifit' and by the measurement uncertainty. After that space for a comment is reserved. The assignment consists of m, J, Ka, Kc quantum numbers. First the upper level is given then the lower level is given. The labelling procedure in the program determines from the eigenvector composition the levels which belong to each particular m-state and then assigns Ka,Kc labels within each m state according to the usual asymmetric top energy ordering scheme. output_34S.txt The output file is organized as follows. First the initial values of parameters as well as different statistics on the experimental data (number of transitions, number of blended transitions, number of levels included in the fit etc.) are given. Then, for each iteration, the information on the parameter changes and current rms deviation for different groups of data are given. Then the list of the parameter values for the next iteration is presented in the format suitable for the input file (so it can be copied and pasted easily to the input file). When the fit has converged or the maximum allowed number of iterations has passed the output of obtained results is given. The list of transitions with J