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• W1995994829 abstract "The infrared spectra of 1,1-dimethylhydrazine, (CH3)2NNH2, and two isotopomers, (CD3)2NNH2 and (CH3)2NND2, have been recorded in the region between 600 and 100 cm−1. Very rich and complex spectra were obtained and analysis of the data has been carried out. The interpretation of the spectra arising from the two methyl torsional modes of the −d0 compound was carried out using a semi-rigid model, and the resulting potential function obtained is V30 = 1685 ± 12 cm−1 (4.82 ± 0.04 kcal mol−1); V03 = 1827 ± 16 cm−1 (5.22 ± 0.05 kcal mol−1); V60 = −92±5cm−1 (−0.26 ± 0.02 kcal mol−1); V06 = −41 ± 6cm−1 (−0.12 ± 0.02 kcal mol−1) and V′33 = −51 ± 5 cm−1 (−0.15 ± 0.01 kcal mol−1). Ab initio gradient calculations were carried out employing the 3–21G and 6–31G* basis sets, as well as the 6–31G* basis set with electron correlation at the MP2 level. The structural parameters, conformational stability, and three-fold barriers to internal rotation have been determined and the gauche conformer is calculated to be more stable than the trans form by 783 cm−1 (2.24 kcal mol−1) with the MP2/6–31G* basis set. These calculations were also used to re-evaluate the previously reported assignment of the fundamental modes, and to obtain a potential function for the asymmetric torsion. All of these results are discussed and compared with corresponding quantities for some similar compounds." @default.
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• W1995994829 date "1994-03-01" @default.
• W1995994829 modified "2023-10-14" @default.
• W1995994829 title "Analysis of torsional spectra of molecules with two internal C3ν, rotors—XXVI. A far infrared study of 1,1-dimethylhydrazine" @default.
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• W1995994829 doi "https://doi.org/10.1016/0584-8539(94)80166-5" @default.
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