Potential energy surfaces for the interaction of a Ne*(3P2,0) atom with H2O and H2S molecules are obtained on the basis of a semi empirical method that has been previously used for some specific orientations in Ne*(3P2,0)–H2O system. The method is now suitable for all orientations and also for Ne*(3P2,0)–H2S system. Interesting features emerge by comparing the two systems and appear related to different characteristics of the two molecular partners. The potential energy surface for Ne*(3P2,0)–H2S has been also successfully tested for reproducing recent experimental Penning ionization electron spectroscopy data, sensible to some specific orientations of the two colliding partners.
Intermolecular potential energy surfaces for the interaction between H2X (X = O, S) and metastable Ne*(3P2,0) atom
FALCINELLI, Stefano;BARTOCCI, ALESSIO;CANDORI, Pietro;PIRANI, Fernando;VECCHIOCATTIVI, Franco
2014
Abstract
Potential energy surfaces for the interaction of a Ne*(3P2,0) atom with H2O and H2S molecules are obtained on the basis of a semi empirical method that has been previously used for some specific orientations in Ne*(3P2,0)–H2O system. The method is now suitable for all orientations and also for Ne*(3P2,0)–H2S system. Interesting features emerge by comparing the two systems and appear related to different characteristics of the two molecular partners. The potential energy surface for Ne*(3P2,0)–H2S has been also successfully tested for reproducing recent experimental Penning ionization electron spectroscopy data, sensible to some specific orientations of the two colliding partners.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
