Graphical determination of approximate valence force constants of C3v-molecules
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چکیده
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Valence Force Constants of N-Benzylideneanilines
Within the familiy of organic compounds with jr-systems, N-benzylideneaniline (NBA) is inter esting because of the nature of the phenyl-N, N=C and C-phenyl bonds, and the influence of the p,p'substituents on the molecular conformation (see Fig. 1). As a consequence of the electron donor and acceptor ability of the substituents, N-benzylideneanilines adopt different conformations. A l though s...
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15 صفحه اولSemiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
The rotational barrier about the C S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the C N D O method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence force constants in FC(0)SC1 were also calculated and the values obtained compare favourably with res...
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ژورنال
عنوان ژورنال: Spectrochimica Acta Part A: Molecular Spectroscopy
سال: 1967
ISSN: 0584-8539
DOI: 10.1016/0584-8539(67)80137-5