K V Rajalakshmi
Articles written in Proceedings – Section A
Volume 56 Issue 5 November 1962 pp 258-261
Urey-Bradley force constants of ketene and deuteroketene have been evaluated by the normal co-ordinate treatment. Using these force constants, the fundamental vibrational wave-numbers for ketene and its deuterium analogue have been calculated and compared with the observed bands.
Volume 57 Issue 3 March 1963 pp 186-189
THe Urey-Bradley force field has been employed in the investigation of force constants for the allene molecule. Using the Urey-Bradley force constants, the vibrational wavenumbers have been calculated and compared with the observed bands reported for this molecule.
Volume 58 Issue 5 November 1963 pp 290-295
The theory of the determination of the mean amplitudes of vibration in molecules using the symmetry co-ordinates has been applied to the cases of arsenic halides belonging to the pyramidal XY3 type and a few silicon and stannic halides of the tetrahedral XY4 type. The mean square amplitudes and mean amplitudes of vibration have been evaluated at 298° K.
Volume 58 Issue 6 December 1963 pp 373-380
The harmonic wave numbers for HCOF and DCOF have been calculated using the observed fundamentals and the force constants have been evaluated on the basis of the general quadratic and Urey-Bradley force fields. The out-of-plane fundamental in HCOF, which has not been reported so far, is calculated. The thermodynamic properties of HCOF and DCOF have been calculated for fourteen temperatures ranging from 200° K. to 1500° K. for the ideal gaseous state at one atmosphere pressure and for a rigid rotor, harmonic oscillator approximation.
Volume 60 Issue 1 July 1964 pp 51-56
Applying the secular equation method of Cyvin, the mean-square amplitudes and the mean amplitudes for ten bent symmetrical XY2 molecules and groups at 300° K. have been evaluated.
Volume 61 Issue 4 April 1965 pp 255-259
The theory of mean square amplitude of vibration using the symmetry co-ordinates has been applied to the pyramidal XYZ2 molecular model. The elements of the mean square amplitude matrices and the mean amplitude quantities at 300° K. for thionyl halides have been reported.