Sayak Bhattacharya
Galgotias University, India
Title: He2H+- A quantum dynamical study on stability and reactivity
Biography
Biography: Sayak Bhattacharya
Abstract
According to the standard Big Bang model, the HeH+ ion is believed to be the first molecule to be formed in the Universe. This makes the ionic system a storehouse of immense information on the mystries surrounding the creation of the Universe and a subject of intense research in the field of astrophysics. Although HeH+ is expected to be observable in a variety of astrophysical environments like gaseous nebulae and in planetary nebulae, none of the several attempts to observe its extraterrestrial presence have been conclusive. The fact that HeH+ eludes observation means that either the mechanisms of creation of HeH+ are overestimated or that the mechanisms of its destruction are underestimated. This brings into focus the importance of knowledge about the accurate dynamics of the reaction of HeH+ with He, where a proton is transferred from one heavy atom (helium) to another heavy atom (helium) and the stability of the He2H+ dimer. The multiconfiguration time-dependent Hartree (MCTDH) approach has been employed to exhaustively study the reaction dynamics of the He + HeH+ reaction on the Panda-Sathyamurthy potential energy surface. The importance of the initial orientation of the reagents and the presence of preferred pathways of approach in the reaction dynamics of this system has been underlined in the present work.