High pressure Raman microprobe studies of phosphazene trimers

Conference · Fri Apr 01 04:00:00 EST 1988

OSTI ID:6930602

Exarhos, G J; Hess, N J

A representative class of molecules in which chemical bonding is controlled by marked differences in atom electronegativity as well as d-orbital involvement is exemplified by the planar cyclic phosphazene system, (NPX/sub 2/)/sub 3/, where X represents substituent groups bonded to the ring phosphorus atoms. Ab initio molecular orbital calculations of both chloro- and fluorotrimers using an extended basis set also indicate the presence of highly localized bonding. In these molecules, the sigma electron density on nitrogen is directed inside the ring with the non-bonding pi-orbital normal to the ring. Vibrational Raman spectra of chloro- and fluorophosphazene trimers as a function of applied pressure have been measured in this work and are used to confirm the mode assignments and evaluate subtle changes in chemical bonding induced by the applied pressure.

• Research Organization: Pacific Northwest Lab., Richland, WA (USA)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 6930602
• Report Number(s): PNL-SA-15787; CONF-880841-19; ON: DE88015938
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHEMICAL BONDS
CHLORINE COMPOUNDS
CRYSTALS
ELECTRONIC STRUCTURE
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
FERMIONS
FLUORINE COMPOUNDS
HALOGEN COMPOUNDS
LEPTONS
MOLECULAR STRUCTURE
NITROGEN
NONMETALS
PHOSPHORUS COMPOUNDS
PRESSURE DEPENDENCE
PRESSURE EFFECTS
RAMAN SPECTRA
SPECTRA