title: Metastable intermolecular charge-transfer complexes with a pentavalent carbon atom.
abstract: A novel type of metastable complexes of metal (such as Na) atoms with a super-fluorinated carbon molecule is investigated, with a carbon atom exhibiting a unique, pentavalent character. It is induced by the charge transfer from the alkali metal component, followed by a geometric compression of the ion pair system. Analysis of the electron-density distribution confirms the real chemical nature of the extra C-F bond. Structure and stability of the system are characterized ab initio, and a spectrum of electronic perturbations is considered. The ways of forming the systems are discussed, and the spectroscopic parameters are predicted, facilitating their detection in experiments.
authors.affiliation: Faculty of Science, University of Ontario Institute of Technology, Oshawa, ON L1H 7K4, Canada. fedor.naumkin@uoit.ca
authors.forename: Fedor Y
authors.initials: FY
authors.lastname: Naumkin
mesh_terms: D002244:Carbon / Q000737:chemistry*; D004583:Electrons; D007536:Isomerism; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D002244:Carbon