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Strongly hydrogen-bonded molecular solid, isonicotinic acid: Raman spectra of the -C/sup 16/O/sub 2/H and -C/sup 16/O/sub 2/D species and infrared and Raman spectra of the -C/sup 18/O/sub 2/H acid

Journal Article · · J. Phys. Chem.; (United States)
DOI:https://doi.org/10.1021/j100323a014· OSTI ID:6180900

While the infrared spectrum of solid isonicotinic OD acid differs from that of the OH acid by far more than one might expect, that of the /sup 18/OH acid is very similar to that of the /sup 16/OH acid in regard to the broad O-H stretching absorption plateau from ca. 1340 to 660 cm/sup -1/. The /sup 18/O labeling results permit extensive vibrational assignment and show which of the inverted bands (transmission window) are due to intramolecular vibrational coupling and which to coupling across the H...N bond. The Raman spectra mostly do not differ from one another by more than ordinarily expected for D or /sup 18/O isotopic substitution. The first instances of inverted Raman bands have been observed. Some high-pressure infrared spectra reported by Hamann can now be explained more fully. A further absorption continuum, weak and broad, but distinct from the hydroxyl stretching continuum, appears to be centered around 450 cm/sup -1/ and is suggested to be due to H...N or D...N hydrogen-bond stretching. Overall, the results indicate that the /sub O/D...N hydrogen bond is not significantly longer then the /sub O/H...N bond, and the unexpected large infrared spectral differences appear to be due essentially to the vibration amplitude being much smaller for the /sup O/D than for the /sub O/H atom. The presence of spectral continua is discussed briefly with reference to ergodicity theory.

Research Organization:
Australian National Univ., Canberra
OSTI ID:
6180900
Journal Information:
J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 92:12; ISSN JPCHA
Country of Publication:
United States
Language:
English

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADDUCTS
AZINES
CARBOXYLIC ACIDS
CRYSTAL STRUCTURE
CRYSTALS
DATA
DEUTERIUM
DEUTERIUM COMPOUNDS
ENERGY LEVELS
EVEN-EVEN NUCLEI
EXCITED STATES
EXPERIMENTAL DATA
HETEROCYCLIC ACIDS
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
INFRARED SPECTRA
ISOTOPE EFFECTS
ISOTOPE ENRICHED MATERIALS
ISOTOPES
LIGHT NUCLEI
MATERIALS
MONOCRYSTALS
NICOTINIC ACID
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN 16
OXYGEN 18
OXYGEN ISOTOPES
PYRIDINES
RAMAN SPECTRA
SOLIDS
SPECTRA
SPECTROSCOPY
STABLE ISOTOPES
VIBRATIONAL STATES
VITAMIN B GROUP
VITAMINS