Journal ArticleDOI
Normal coordinate analysis of malononitriles: I. G Matrix elements
TLDR
The elements of the kinetic energy matrix G of CX 2 (CN) 2 using several sets of internal symmetry coordinates have been calculated and discussed in this article, where the elements of G of CN 2 have been shown to have a similar behavior.About:
This article is published in Journal of Molecular Structure.The article was published on 1972-08-01. It has received 4 citations till now. The article focuses on the topics: Matrix (mathematics) & Mass matrix.read more
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Normal coordinate analysis of malononitriles. IV. Dialkylmalononitriles
TL;DR: In this paper, the infrared and Raman spectra of some dialkylmalononitriles have been recorded and a normal coordinate analysis carried out using the Becher and Mattes method for the dimethyl derivative.
Journal ArticleDOI
Normal coordinate analysis of malononitriles: II. Difluoromalononitrile
TL;DR: In this article, the authors applied the procedure of Becher and Mattes to the calculation of force constants and potential energy distributions of difluoromalononitrile and compared the results with the values obtained by Perettie and Wait, and with values obtained for similar molecules.
Journal ArticleDOI
Vibrational analysis of cyanoamides. Part I. Cyanoformamide
TL;DR: In this article, the infrared and Raman spectra of cyanoformamide and its deuterated derivative have been measured and fundamental vibration frequencies have been assigned The nature of the primary amide and thio-amide structure has been discussed
Journal ArticleDOI
Normal coordinate analysis of malononitriles: III. The valence force field of malononitrile and its deuterated derivatives
B.J. van der Veken,H.O. Desseyn +1 more
TL;DR: In this article, the authors applied the procedure of Becher and Mattes [1] to the calculation of the valence force field for malononitrile H 2 C(CN) 2 and its deuterated derivatives, HDC(CN), and localized in the space of the real solutions of the inverse vibrational eigenvalue problem.
References
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Journal ArticleDOI
A Tabulation of General Formulas for Inverse Kinetic Energy Matrix Elements in Acyclic Molecules
TL;DR: In terms of internal coordinates of the bond stretching and bending type, together with a torsional type of coordinate, general formulas for inverse kinetic energy matrix elements have been computed for all 33 possible acyclic configurations involving the given types of coordinates as mentioned in this paper.
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Vibration spectra and force constants of malononitrile, malononitrile-d1 and malononitrile-d2
T. Fujiyama,Takehiko Shimanouchi +1 more
TL;DR: In this paper, the normal frequencies and modes of NCCH 2 CN, NCCHDCN and NCCD 2 CN were calculated on the basis of the Urey-Bradley force field.
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Vibrational Spectrum and Infra‐red Polarization Measurements for Malononitrile
TL;DR: In this paper, the infra-red spectra of gaseous, liquid, and solid malononitrile have been obtained using a spectrometer equipped with LiF, NaCl, and KBr prisms.
Journal ArticleDOI
A General Method of Obtaining Molecular Symmetry Coordinates
J. Rud Nielsen,L. H. Berryman +1 more
TL;DR: In this paper, a general method of obtaining molecular symmetry coordinates based on the algebra of group representation theory is described, which presupposes a knowledge of the irreducible representations of the molecular symmetry group rather than merely of their characters.