In this paper, we report the results of our study of the microsolvation process involving the anisole molecule. We are able to study bimolecular complexes of different compositions. Changing the second partner molecule bound to anisole, we observed complexes of different geometries, because of the large variety of interactions possible for the anisole. High-resolution electronic spectroscopy is the best tool to reveal the correct vibrationally (zero-point) averaged geometry of the complex. That is done by analysing the rovibronic structure of the electronic spectra, which are related to the equilibrium geometry of the complex as well as dynamical processes, both in the ground and in the excited state. The interpretation of the experimental results is supported by high-level quantum calculations.
Microsolvation in molecular complexes / M. Pasquini; N. Schiccheri; G. Piani; G. Pietraperzia; M. Becucci; E. Castellucci. - In: PHYSICA SCRIPTA. - ISSN 0031-8949. - STAMPA. - 78:(2008), pp. 058109-058109-5. [10.1088/0031-8949/78/05/058109]
Microsolvation in molecular complexes
PASQUINI, MASSIMILIANO;SCHICCHERI, NICOLA;PIANI, GIOVANNI;PIETRAPERZIA, GIANGAETANO;BECUCCI, MAURIZIO;CASTELLUCCI, EMILIO MARIO
2008
Abstract
In this paper, we report the results of our study of the microsolvation process involving the anisole molecule. We are able to study bimolecular complexes of different compositions. Changing the second partner molecule bound to anisole, we observed complexes of different geometries, because of the large variety of interactions possible for the anisole. High-resolution electronic spectroscopy is the best tool to reveal the correct vibrationally (zero-point) averaged geometry of the complex. That is done by analysing the rovibronic structure of the electronic spectra, which are related to the equilibrium geometry of the complex as well as dynamical processes, both in the ground and in the excited state. The interpretation of the experimental results is supported by high-level quantum calculations.I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.