The Microwave Spectrum of Vinyl Cyanide

Abstract

The rotational spectrum of the slightly asymmetric top, vinyl cyanide, has been investigated in a microwave spectrograph employing Stark effect modulation and in a direct absorption cell. The rotational constants a=49 076.2 Mc/sec, b=4971.33, and c=4514.05 were computed from the observed frequencies of the J = 2-->3 transitions. From measurements of the Stark effect, the components of the dipole moment were found to be I'a=3.68D, I'b= 1.25, 1'=3.89. Partial resolution of the hyperfine structure of certain lines gave the value -3.0 Mc/sec for the X.a component of quadrupole coupling.

Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole explored by rotational spectroscopy and ab initio calculations

“…These included (HCN) 2 , 41,42 CH 3 CN, 43 CH 3 CCCN, 44,45 HC 3 N, [46][47][48] HC 5 N, 49 HC 7 N, 50 HC 9 N, 51 ICN, 52 ICCCN, 53 CH 2 (CN) 2 , 54,55 cyanoallene, 56,57 and vinyl cyanide (CH 2 = =CHCN). 58,59 There was evidence of (H 2 O) 2 , which is presumed to be a result of the contamination of the gas lines behind the valve by small amounts of H 2 O impurity. 60 Figure 3 shows the spectra recorded in both regions after removal of peaks corresponding to the fragments listed above.…”

Broadband rotational spectroscopy of acrylonitrile: Vibrational energies from perturbations

“…Acrylonitrile is a molecule with a strong rotational spectrum, which has been the subject of many, successively more refined studies [1][2][3][4][5][6][7][8][9][10][11][12]. Much of that work has been stimulated by the astrophysical relevance of acrylonitrile, and it has been demonstrated that transitions in interstellar 13 C isotopic acrylonitrile can also be detected [10].…”

The rotational spectrum of acrylonitrile up to 1.67THz

“…Acrylonitrile (vinyl cyanide, H 2 C@CHCN) is a relatively rigid planar molecule, and its laboratory rotational spectrum has already been studied on numerous occasions [1][2][3][4][5][6][7][8][9][10]. Acrylonitrile is also an established astrophysical species (see Ref.…”