The extent and the role of charge-tranfer (CT) effects in weak intermolecular interactions constitute a long debated and still unsettled question. A full detailed description of the nature of such interactions requires an account of the critical balancing of electrostatic, charge-trasfer, induction, dispersion and exchange (or size) repulsion interaction components. This represents for long time a fundamental and broad field of research. In this contribution we present our results, employing molecular beam scattering experiments and charge displacement analysis obtained by high level ab-initio calculations, for the simplest weakly bound adducts, formed by H2O, H2S, NH3, CF4, CCl4, Cl2, and Br2, with noble gases or simple molecules as prototypical systems to study in detail the involved interactions.
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds
BELPASSI, LEONARDO;BARTOCCI, ALESSIO;CAPPELLETTI, David Michele;FALCINELLI, Stefano;PIRANI, Fernando;TARANTELLI, Francesco
2014
Abstract
The extent and the role of charge-tranfer (CT) effects in weak intermolecular interactions constitute a long debated and still unsettled question. A full detailed description of the nature of such interactions requires an account of the critical balancing of electrostatic, charge-trasfer, induction, dispersion and exchange (or size) repulsion interaction components. This represents for long time a fundamental and broad field of research. In this contribution we present our results, employing molecular beam scattering experiments and charge displacement analysis obtained by high level ab-initio calculations, for the simplest weakly bound adducts, formed by H2O, H2S, NH3, CF4, CCl4, Cl2, and Br2, with noble gases or simple molecules as prototypical systems to study in detail the involved interactions.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
