Proposed molecular structures for 3-Butenenitrile (cas 109-75-1), 2-methyl-3-Butenenitrile (cas 109-75-1), and 3-methyl-3-Butenenitrile (cas 109-75-1)☆
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Add time:08/19/2019 Source:sciencedirect.com
Molecular structures are proposed for the two conformers, s-cis and gauche, existing for 3-butenenitrile and 3-methyl-3-butenenitrile, and for the three predicted conformers of 2-methyl-3-butenenitrile, using structural parameters transferred from related molecules. The proposed structures for the two conformers of 3-butenenitrile have principal moments of inertia which agree well with experimental values obtained by microwave spectroscopy, except for the gauche IA moment. The experimental value of IA for the gauche conformer of 3-butenenitrile could only be determined at the time with a low degree of precision, hence the microwave spectrum of this conformer should probably be reexamined.
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