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Vibrational spectroscopic study of the three solid phases of bicyclo[2.2.2]octene
Author(s) -
Kawai Nancy T.,
Butler Ian S.,
Gilson Denis F. R.
Publication year - 1992
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.1250230105
Subject(s) - tetragonal crystal system , raman spectroscopy , phase (matter) , phase transition , chemistry , crystallography , crystal (programming language) , analytical chemistry (journal) , bicyclic molecule , spectroscopy , crystal structure , materials science , stereochemistry , thermodynamics , optics , physics , organic chemistry , programming language , computer science , quantum mechanics
The three solid phases of bicyclo [2.2.2] oct‐2‐ene were characterized by vibrational spectroscopy at low temperatures and high pressures. Bicyclooctene undergoes a phase transition at 176 K on cooling (phase I → phase II) and then another at ca 95 K (phase II → phase III). On compression at room temperature, these same transitions occur at 7.9 ± 1.0 kbar and ca. 15 kbar. The low‐frequency Raman spectra show that phase I is isotropically disordered, whereas phase II is anisotropically disordered. The crystal structure of phase II is, however, similar to that of phase III, and is suggested to be tetragonal.