Theoretical and Experimental Studies of Subnanoscale Molecules and Clusters

Abstract

A brief review is given of theoretical and experimental studies of a series of subnanoscale molecules and clusters performed by the authors with the staff of the Institute of Atomic and Molecular Sciences and the Genomics Center, Academia Sinica (Taipei, Taiwan) using quantum chemical calculations and experimental means of laser spectroscopy and mass spectrometry in gas phase. Several systems are considered: (a) the fragmentation and association of heme, hemin, and beta-hematin; (b) the structure, stability and chirality of the isomers of the protonated octamer of serine; (c) the stability and structure of Li- and Na-substituted saccharides, fullerols, and fullerol-like polyhydroxyl clusters; and (d) the theoretical prediction and experimental synthesis and study of the endohedral methane–fullerene cluster CH4@C60.