THE FUNDAMENTAL FREQUENCIES OF ALL THE DEUTERATED BENZENES. APPLICATION OF THE COMPLETE ISOTOPIC RULE TO NEW EXPERIMENTAL DATA

Journal Article · Thu Jan 01 04:00:00 EST 1959 · Kgl. Danske Videnskab. Selskab, Mat.-fys. Skrifter

OSTI ID:4241146

Brodersen, S; Langseth, A

The complete isotopic rule (Mat. Fys. Skr-Dan. Vid. Selsk, 1, No. 5 (1958)) is used to calculate all the Fundamental frequencies of the various partly deuterated benzenes from those of berzene-d/sub 0/ and benzene-d/sub 6/. The calculated frequencies are compared with new experimental values obtained in this laboratory. All nonplanar frequencies are given by strictly valid rules. In order to calculate the planar frequencies it is necessary to introduce an approximation based on the separation of high and low frequencies. No correction for anharmonicity is required A detailed discussion is given of the setting up of the rules, especially of the approximate ones. The agreement between calulated and oberved frequencies is very satisfactory. Frequencies calculated from strictly valid rules usually agree within 0-3 cm/sup -1/), those calculated from axproximate rules within 0-10 cm/sup -1/. A first order approxtmation is proposed and shown to he of great value for surveying the changes in vibrational frequencies caused by changes in the isotopic substitution. (auth)

• Research Organization: Univ. of Copenhagen
• NSA Number: NSA-13-015117
• OSTI ID: 4241146
• Journal Information: Kgl. Danske Videnskab. Selskab, Mat.-fys. Skrifter, Journal Name: Kgl. Danske Videnskab. Selskab, Mat.-fys. Skrifter Vol. Vol: 1, No. 7
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

ATOMIC MODELS
BENZENE
CHEMISTRY
CONFIGURATION
DEUTERIUM COMPOUNDS
ENERGY LEVELS
EQUATIONS
INFRARED RADIATION
ISOTOPE EFFECTS
MATHEMATICS
MEASURED VALUES
MOLECULES
OSCILLATIONS
RESONANCE
SPECTRA
SPECTROSCOPY
TABLES