NH2CH2CN(aminoacetonitrile, NHDCH2CN, ND2CH2CN)ground state, H2CH2CN ν11=1, ν18=1, ν17=1



Version 2
Date of Entry Jun. 2017
Contributor K. Kobayashi
Lines Listed 679(540, 535) (ground state)
575 (ν18 = 1)
745 (ν11 = 1)
532 (ν17 = 1)
Frequency / GHz 9.1-1128.3 (8.8-498.6, 25.1-502.4)(ground state)
80-407(ν18 = 1)
80-445(ν11 = 1)
83-448 (ν17 = 1)
Max J 82 (60, 61)(ground state)
45(ν18 = 1)
56(ν11 = 1)
50 (ν17 = 1)
Max K 23 (21, 12)(ground state)
13(ν18 = 1)
13(ν11 = 1)
15 (ν17 = 1)
log STR0
log STR1
Isotope Corr.
Egy / (cm-1)
μa / D
μb / D
μc / D
A / MHz
B / MHz
C / MHz
Q(2000.)
Q(1000.)
Q(500.0)
Q(300.0) 34824 (37328, 38417)
Q(225.0) 22817 (24527, 25908)
Q(150.0) 12456 (13411, 14336)
Q(75.00) 4403 (4743, 5078)
Q(37.50) 1557 (1677, 1796)
Q(18.75) 552 (594, 636)
Q(9.375) 196 (211, 226)
molecular weight/u 56.037 (57.044, 58.050)
References
The listed partition functions are for the ground state.
Abbreviations of the references.
Ground state
MOT13: "Submillimeter-wave Spectrum of Aminoacetonitrile and Its Deuterated Isotopologues, Possible Precursor of the Simplest Amino Acid, Glycine." Y. Motoki, Y. Tsunoda, H. Ozeki, and K. Kobayashi, Astrophysical Journal, Supplement Series, 209, 23 (2013)
PIK73: H. M. Pickett, Journal of Molecular Spectroscopy, Volume 46, 335 (1973).
M&T72: J. N. MacDonald, & J. K. Tyler, J. Chem. Soc. Chem. Comm., 995 (1972). BRO77: R. D. Brown, P. D. Godfrey, A. L. Ottrey, & J. W. V. Storey, Journal of Molecular Spectroscopy, 68, 359 (1977).
BOG90: M. Bogey,H. Dubus, & J. C. Guillemin, ,1990, Journal of Molecular Spectroscopy, 143, 180 (1990).
The predicted frequencies are deposited in the CDMS. Vibrational excited states(ν11 = 1, ν18 = 1, ν17 = 1)
"MILLIMETER- AND SUBMILLIMETER-WAVE SPECTRUM OF AMINOACETONITRILE IN THE THREE LOWEST VIBRATIONAL EXCITED STATES," C. Degli Esposti, L. Dore, M. Melosso, K. Kobayashi, C. Fujita, and H. Ozeki, Astrophysical Journal, Supplement Series, (2017)
The vibrational energy were given in the following paper.
B. Bak, E. L. Hansen, F. M. Nicolaisen, & O. F. Nielsen, Canadian Journal of Physics, 53, 2183 (1975).


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Kaori Kobayashi (Department of Physics, University of Toyama)
kaori-at-sci.u-toyama.ac.jp (replace -at- with @)
Last update, Jun. 5th 2017