The N Nuclear Quadrupole Coupling in E- and Z-C-Cyanomethanimine; its Prediction from Restricted Hartree-Fock Wave Functions and its Experimental Determination by High Resolution Microwave Spectroscopy
نویسندگان
چکیده
The 1 N hyperfine multiplets of low-7 rotational transitions of the E and Z isomers of HN = CH — C = N, produced by flash pyrolysis from (CH 3 ) 2N —C = N as precursor, were observed and analysed. The quadrupole coupling constants determined are (c-axis perpendicular to the molecular plane): , Xaa/MHz XJUWz XJUHz E H — N = CH — C = N -4 .160(10) +1.658(31) +2.502(31) E H N = C H C = N +0.764(11) -4 .459(24) +3.695(24) Z H N = C H C = N -4 .078(21) +1.581 (42) +2.497(42) Z H N = C H C = N 4 . 1 7 1 (21) +0.401 (32) +3.770(32)
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