Articles written in Journal of Chemical Sciences
Volume 90 Issue 5 October 1981 pp 391-405 Physical and Theoretical
The exchange part of the usual Hartree-Fock potential in the unrestricted Hartree-Fock (UHF) theory is suitably
Volume 93 Issue 6 August 1984 pp 905-916 Physical and Teoretical Chemistry
Radiationless transitions in lanthanide ions embedded in glassy and crystalline hosts have been briefly reviewed. The correlations of multiphonon relaxation rates with energy gaps, vibrational frequencies, temperatures and electronic symmetries have been discussed. The essence of various theories, such as Nth order methods, non-adiabatic Hamiltonian method, dynamic coupling model has also been presented.
Volume 102 Issue 3 June 1990 pp 255-268
It has been shown that circular dichroism (CD) and two-photon absorption (TPA) spectroscopies are capable of throwing new light on fn ⇒ fn optical transitions. High-resolution circular dichroism of single crystals can provide information on the chiral environment as well as on the magnetic and electric quadrupolar transition moments of lanthanide ions, and thus can be exploited for the purpose of assignment of bands. TPA, on the other hand, although capable of resolving crystal-field components better than one-photon absorption, exhibits puzzling intensity features, which need to be sorted out before it can be generally used as a diagnostic tool.
Volume 104 Issue 6 December 1992 pp 629-633
The application of supersonic jet spectroscopy to the study of low-frequency, large-amplitude, anharmonic motions in the excited states of floppy molecules has been discussed. In particular, our work on inversion and torsional vibrations of 9, 10-dihydroanthracene and dihydrophenanthrene by laser-induced fluorescence excitation technique has been reviewed. The inversion of dihydroanthracene is nicely fitted with a quadratic Gaussian type potential function and the height of the barrier in the S1 state is calculated to be 94 cm−1. The inter-ring torsional frequencies of dihydrophenanthrene appear as a prominent progression and Frank-Condon analysis shows that the S1 state of the molecule is planar in contrast to a skew configuration in the ground state. A peculiar alternation of band gaps has been noticed.
Volume 106 Issue 6 November 1994 pp 1263-1268
Cold isolated molecules produced in seeded supersonic jets are ideal systems for obtaining information on the nature of potential energy surfaces of excited states. The power of the technique is illustrated with examples of molecules having one or two out-of-plane low-frequency vibrations.
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