• K L Sebastian

Articles written in Journal of Chemical Sciences

• A study of interaction in the lowest singlet and triplet states of H2

The potential energy curves of the ground state and the first excited state of H2 are examined in terms of the electronic force acting on each nucleus. The results reveal the detailed course of events that occur when two hydrogen atoms with parallel and antiparallel electron spins approach one another from a large internuclear separation.

• Diffusion-reaction approach to electronic relaxation in solution. Exact solution for delta function sink models

We give a general method for finding the exact solution for the problem of electronic relaxation in solution, modelled by a particle undergoing diffusive motion in a potential in presence of a delta function sink. The diffusive motion is described by the Smoluchowski equation and the sink could be a delta function of arbitrary position and strength. The solution requires the knowledge of the Laplace transform of the Green’s function for the motion in the absence of the sink. We use the method to find the solution of the problem in the case where the diffusive motion is on a parabolic potential. This has been an unsolved problem for some time and is of considerable importance as a model for non-radiative electronic relaxation of a molecule in solution. The solution is analyzed to obtain the viscosity and temperature dependences of the rate constants.

• Foreword

• Distance dependence of fluorescence resonance energy transfer

Deviations from the usual $R^{-6}$ dependence of the rate of fluorescence resonance energy transfer (FRET) on the distance between the donor and the acceptor have been a common scenario in the recent times. In this paper, we present a critical analysis of the distance dependence of FRET, and try to illustrate the non-$R^{-6}$ type behaviour of the rate for the case of transfer from a localized electronic excitation on the donor, a dye molecule to three different energy acceptors with delocalized electronic excitations namely, graphene, a two-dimensional semiconducting sheet and the case of such a semiconducting sheet rolled to obtain a nanotube. We use simple analytic models to understand the distance dependence in each case.

• Excitation energy transfer from dye molecules to doped graphene

Recently, we have reported theoretical studies on the rate of energy transfer from an electronically excited molecule to graphene. It was found that graphene is a very efficient quencher of the electronically excited states and that the rate $\alpha z^{−4}$. The process was found to be effective up to 30 $nm$ which is well beyond the traditional FRET limit. In this report, we study the transfer of an amount of energy $\hbar \Omega$ from a dye molecule to doped graphene. We find a crossover of the distance dependence of the rate from $z^{−4}$ to exponential as the Fermi level is increasingly shifted into the conduction band, with the crossover occurring at a shift of the Fermi level by an amount $\hbar \Omega/2$.

• # Journal of Chemical Sciences

Volume 135, 2023
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019