J/A+A/553/A84   (Sub)mm spectrum of deuterated methyl cyanides   (Nguyen+, 2013)

Extension of millimeter- and submillimeter-wave spectral databases of deuterated methyl cyanides (CH2DCN and CHD2CN). Nguyen L., Walters A., Margules L., Motiyenko R. A., Guillemin J.-C., Kahane C., Ceccarelli C. <Astron. Astrophys. 553, A84 (2013)> =2013A&A...553A..84N 2013A&A...553A..84N
ADC_Keywords: Atomic physics ; Interstellar medium ; Millimetric/submm sources ; Spectroscopy Keywords: ISM : molecules - methods : laboratory - line identification - submillimeter: ISM - molecular data Abstract: The study of deuterated abundant molecules is recognized as important in understanding molecular complexity in star-forming regions. We seek to assign the laboratory millimeter and submillimeter wave rotational spectra of the CHD2CN and CH2DCN deuterated isotopologues of methyl cyanide over a wide frequency range in order to provide precise spectral predictions for observations. Description: We have measured in the laboratory the spectra of deuterated isotopologues of methyl cyanide CHD2CN and CH2DCN in the ground vibrational state. The observed rotational transition frequencies were fitted with the ASFIT program. The prediction of transition frequencies was performed using the SPCAT program. Table B.1 and B.2 contain all measured lines of CHD2CN and CH2DCN, respectively. For each table, quantum numbers, frequency, assumed experimental uncertainties and residual (Obs.-Calc.) are given. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file tableb1.dat 45 1229 Observed frequencies and fit of CHD2CN tableb2.dat 45 641 Observed frequencies and fit of CH2DCN -------------------------------------------------------------------------------- Byte-by-byte Description of file: tableb1.dat tableb2.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 2 I2 --- J' [6/57] Quantum number (upper state) 4- 5 I2 --- Ka' [0/23] Quantum number (upper state) 7- 8 I2 --- Kc' [2/57] Quantum number (upper state) 10- 11 I2 --- J" [6/57] Quantum number (lower state) 13- 14 I2 --- Ka" [0/23]Quantum number (lower state) 16- 17 I2 --- Kc" [1/56]? Quantum number (lower state) 19- 29 F11.4 MHz Freq [164044/940798]? Observed frequency 30 A1 --- Note [cb+e] Note (1) 32- 37 F6.4 MHz e_Freq ? Assumed experimental uncertainty 39- 45 F7.4 MHz O-C ? Residual (observed minus calculated value) -------------------------------------------------------------------------------- Note (1): Note as follows: c = shows the c-type transitions b = shows the b-type transitions = Transitions without "c" or "b" are of a-type + = shows the blended transitions e = shows the transitions observed but rejected from the fit because of the significant difference between observed and calculated frequencies. The observed minus calculated difference (O-C) is not given for the latter transitions. -------------------------------------------------------------------------------- Acknowledgements: Linh Nguyen, linh.nguyen80(at)yahoo.fr
(End) Linh Nguyen [IRAP, France], Patricia Vannier [CDS] 14-Feb-2013
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