Chemical reactivity of the compressed noble gas atoms and their reactivity dynamics during collisions with protons

Journal of Chemical Sciences

P K Chattaraj1¹  U Sarkar¹  B Maiti¹ 

[1]Department of Chemistry, Indian Institute of Technology, Kharagpur 721 302, India$$

关键词: Confinement;    reactivity dynamics;    quantum fluid density functional theory.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

Attempts are made to gain insights into the effect of confinement of noble gas atoms on their various reactivity indices. Systems become harder, less polarizable and difficult to excite as the compression increases. Ionization also causes similar effects. A quantum fluid density functional technique is adopted in order to study the dynamics of reactivity parameters during a collision between protons and He atoms in different electronic states for various projectile velocities and impact parameters. Dynamical variants of the principles of maximum hardness, minimum polarizability and maximum entropy are found to be operative.

【 授权许可】

Unknown