Features of the stereochemical structure of the n-propanol molecule
Journal Article
·
· J. Struct. Chem. (Engl. Transl.); (United States)
The internal rotation potentials of the n-propanol molecule were calculated and compared with the results from experimental investigations into the microwave spectra of the initial and isotopically substituted (n-propanol-OD) molecules. New series of transition, assigned to a fifth isomeric form of the n-propanol-OD molecule, were found in the range of 9.8-27.3 GHz. A mechanism of stabilizing the interaction is proposed on the basis of an analysis of the calculated structural parameters and the dipole moment components of the conformer.
- OSTI ID:
- 5354471
- Journal Information:
- J. Struct. Chem. (Engl. Transl.); (United States), Journal Name: J. Struct. Chem. (Engl. Transl.); (United States) Vol. 28:2; ISSN JSTCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400202* -- Isotope Effects
Isotope Exchange
& Isotope Separation
ALCOHOLS
ATOMIC MODELS
CHEMICAL REACTIONS
CONFORMATIONAL CHANGES
DEUTERATION
DEUTERIUM COMPOUNDS
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
ENERGY LEVELS
EXCITED STATES
GROUND STATES
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
ISOMERIZATION
ISOMERS
ISOTOPE EFFECTS
ISOTOPIC EXCHANGE
MATHEMATICAL MODELS
MICROWAVE SPECTRA
MOLECULAR MODELS
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
PROPANOLS
SPECTRA
STARK EFFECT
STEREOCHEMISTRY
STRUCTURAL CHEMICAL ANALYSIS
VIBRATIONAL STATES
400102 -- Chemical & Spectral Procedures
400202* -- Isotope Effects
Isotope Exchange
& Isotope Separation
ALCOHOLS
ATOMIC MODELS
CHEMICAL REACTIONS
CONFORMATIONAL CHANGES
DEUTERATION
DEUTERIUM COMPOUNDS
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
ENERGY LEVELS
EXCITED STATES
GROUND STATES
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
ISOMERIZATION
ISOMERS
ISOTOPE EFFECTS
ISOTOPIC EXCHANGE
MATHEMATICAL MODELS
MICROWAVE SPECTRA
MOLECULAR MODELS
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
PROPANOLS
SPECTRA
STARK EFFECT
STEREOCHEMISTRY
STRUCTURAL CHEMICAL ANALYSIS
VIBRATIONAL STATES