Analysis of the Vibrational Spectra of P_3N_3(OCH_2CF_3)_6 and P_4N_4(OCH_2CF_3)_8

Details Analysis of the Vibrational Spectra of P_3N_3(OCH_2CF_3)_6 and P_4N_4(OCH_2CF_3)_8 Analysis of the Vibrational Spectra of P_3N_3(OCH_2CF_3)_6 and P_4N_4(OCH_2CF_3)_8

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confefc04k&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Computer Science

Infrared/Raman

Scientific paper

The cyclic phosphazene trimer P_3N_3(OCH_2CF_3)_6 and the related cyclic tetramer P_4N_4(OCH_2CF_3)_8 have been proposed as the major low-to-medium temperature pyrolysis products of the parent polyphosphazene (PN(OCH_2CF_3)_2)_n. Recently, both molecules have been synthesized, isolated and their vapour-phase vibrational spectra recorded using a high-resolution FTIR instrument.
The interpretation of these spectra is achieved primarily by comparison with the results of high-quality density functional calculations, which enable the principal absorption features to be assigned and conclusions to be drawn regarding the geometries and conformations adopted by both molecules. These in turn allow interesting comparisons to be made with analogous cyclic halo-phosphazenes such as P_3N_3Cl_6 and P_4N_4Cl_8.
Work to record in situ the spectra of the vapour-phase pyrolysis products of (PN(OCH_2CF_3)_2)_n and to analyse these results in terms of the tetramer and trimer spectra will also be presented.
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