Valence force field for furan and pyrrole and their deuterium and methyl derivatives

Journal Article · Fri Jan 01 04:00:00 EST 1971 · J. Mol. Spectrosc.; (United States)

DOI:https://doi.org/10.1016/0022-2852(71)90043-9· OSTI ID:7219967

Scott, D W

A molecular vibrational analysis was carried out for furan and pyrrole and their deuterium and methyl derivatives to establish vibrational assignments for use in statistical thermodynamic calculations. To insure convergence in the least-squares adjustment of force constants, interaction constants were assumed transferable between the furan and pyrrole rings, and observed wave-numbers of the two compounds and their derivatives were used in a single adjustment.

• Research Organization: Bureau of Mines, Bartlesville, OK
• OSTI ID: 7219967
• Journal Information: J. Mol. Spectrosc.; (United States), Journal Name: J. Mol. Spectrosc.; (United States) Vol. 37:1; ISSN JMOSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
AZOLES
BINDING ENERGY
DEUTERIUM COMPOUNDS
ENERGY
ENERGY LEVELS
EXCITED STATES
FURANS
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PYRROLES
VIBRATIONAL STATES