Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues
New measurements of microwave lines (A and E) of propene and its three C-13(1) isotopologues have been made in the 10-22 GHz region with Fr accuracy. The revised lines for propene along with many hundreds from the literature were fitted with the ERHAM program for internal rotors to give improved rotational constants. The new constants are A(0) = 46280.2904(16), B-0 = 9305.24260(30), and C-0 = 8134.22685(28) MHz. Lines for the 3-C-13(1) species were observed in a pure sample; lines for the 1-C-13(1) and 2-C-13(1) species were observed in natural abundance. In fitting the limited sets of lines for the C-13(1) species, many of the centrifugal distortion constants and most of the tunneling parameters were transferred from the fit of propene itself with 27 parameters. Improved rotational constants for the C-13(1) species are reported. (C) 2016 Elsevier Inc. All rights reserved.
Craig, N.C., P. Groner, A.R. Conrad, R. Gurusinghe, and M.J. Tubergen. 2016. "Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues." Journal of Molecular Spectroscopy 328: 1-6.
Journal of Molecular Spectroscopy
Chemistry and Biochemistry
Propene, C-13 isotopologues of propene, Microwave spectra, Rotational constants, Application of ERHAM for internal rotors