Information system for molecular spectroscopy. 5. Ro-vibrational transitions and energy levels of the hydrogen sulfide molecule

Abstract

This work considers the verification, systematization, and publication in the W@DIS information system of all published data acquired at the moment by various authors from the analysis of high resolution, ro vibrational spectra of hydrogen sulfide and its isotopologues. The system interface allows prompt and effi cient search for any required information by specified criteria. The W@DIS information system, in its present state, contains the most complete and reliable information on ro vibrational transitions and energy levels of the hydrogen sulfide molecule as compared with other databases. The data systematized in this work may serve as a source of information for problems of theoretical spectroscopy and chemistry, atmospheric prob lems, and other applications.

Marvel analysis of the measured high-resolution rovibrational spectra of H232S

“…The related Marvel code can be used to critically evaluate and validate experimentally-determined transition wavenumbers and uncertainties collected from the literature, inverting the wavenumber information to obtain accurate empirical energy levels with an associated uncertainty. Marvel has been successfully used to evaluate the energy levels for molecules such as 12 C 2 [17], 48 Ti 16 O [18], water vapour [19,20,21,22,23], H + 3 [24], H 2 D + and D 2 H + [25], 12 C 2 H 2 [26], 14 NH 3 [27,28], and 12 C 2 H 2 16 O [29]. Marvel requires each measured transition to have an associated uncertainty and for each energy level considered to possess a unique set of quantum numbers.…”

“…H + 3 [24], H 2 D + and D 2 H + [25], 12 C 2 H 2 [26], 14 NH 3 [27,28], and 12 C 2 H 2 16 O [29]. Marvel requires each measured transition to have an associated uncertainty and for each energy level considered to possess a unique set of quantum numbers.…”

“…A large number of experimentally determined transition wavenumbers can be found in the literature for the main isotopologue of hydrogen sulfide, H 2 32 S. We have attempted to conduct a rigorous and comprehensive search for all useable spectroscopic data. Fortunately, much of the data up to 2012 was previously collated as part of the 2012 W@DIS information system for hydrogen sulfide [14], in which some of the authors of this paper were involved. These data were converted to Marvel format for this work and analysed alongside data from newly collected sources.…”

“…[74] Data appears to be taken from the 1996 edition of HITRAN [75] 06Polovtseva N/A Thesis, no citation. Referenced in [14] 87LeFlCaAr [76] Energy levels 13Azzam [77] All results are given in 13AzYuTeMa [42] 94KoJe [78] Energy levels 95FlGrRa [79] Energy levels 85LaEdGiBo [80] Calculated values, compared to experimental values from 83FlCaJo [43] 94ByNaSmSi [81] Energy Levels Table 5: Data sources considered but not used in this work.…”

“…As part of this work, we present the largest compilation of published experimental rovibrational transition data for H 2 32 S. The experimental database of H 2 32 S transitions has been formatted and analysed using the Marvel (Measured Active Rotational-Vibrational Energy Levels) spectroscopic network (SN) software [11,12,13]. This study builds on the 2012 W@DIS information system for the hydrogen sulfide molecule [14].…”