Hexakis(acetato)oxotetrazinc, a well-tailored molecular model of zinc oxide. An experimental and theoretical investigation of the electronic structure of Zn4O(acetate)6 and ZnO by means of UV and x-ray photoelectron spectroscopies and first principle local density molecular cluster calculations
作者： Renzo Bertoncello , Marco Bettinelli , Maurizio Casarin , Antonino Gulino , Eugenio Tondello
DOI: 10.1021/IC00035A008
关键词: Molecular model 、 Stereochemistry 、 Electronic structure 、 Molecular orbital 、 Inorganic compound 、 Molecular electronic transition 、 Zinc 、 Chemistry 、 Physical chemistry 、 Local-density approximation 、 Density of states
摘要: A thorough investigation of the electronic structure Zn 4 O(acetate)a and ZnO has been used to test hypothesis that former compound is a well-tailored molecular model latter solid. First principle local density cluster calculations relative O(acetate) 6 indicate tetrahedral arrangement four atoms around central oxygen present in title very good chemical environment
acs.org
core.ac.uk 
sci-hub.se 参考文章(0)