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Resonance Raman spectra of naphthalene and naphthalene‐ d 8 anions in THF
Author(s) -
Christesen S. D.,
Johnson C. S.
Publication year - 1983
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250140113
Subject(s) - raman spectroscopy , naphthalene , chemistry , ab initio , tetrahydrofuran , force constant , resonance (particle physics) , spectral line , ab initio quantum chemistry methods , planar , normal mode , computational chemistry , analytical chemistry (journal) , molecule , atomic physics , vibration , organic chemistry , physics , astronomy , solvent , optics , computer graphics (images) , quantum mechanics , computer science
Raman spectra have been obtained for naphthalene and naphthalene‐ d 8 anions in tetrahydrofuran. Seven of the nine totally symmetric normal modes were observed, and a normal modes analysis was performed for the planar modes to obtain stretching force constants for the CC bonds. The changes in the force constants resulting from sodium reduction of naphthalene were found to be proportional to changes in τ bond orders obtained from ab initio Hartree‐Fock SCF calculations at the STO‐3G level. Raman shifts resulting from ion pair formation were within experimental errors.