Measurements of the rotational spectra of phenol and 2-pyrone and computational studies of the H-bonded phenol-pyrone dimer

Journal of Physical Chemistry A

Volumn 113, Issue 32, 2009, Pages 9185-9192

  Tanjaroon, Chakree ^a   Kukolich, Stephen G ^a  

^a UNIVERSITY OF ARIZONA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BENT STRUCTURE; CENTRIFUGAL DISTORTION CONSTANTS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIMER STRUCTURE; GROUND VIBRATIONAL STATE; INERTIAL DEFECTS; J VALUE; LOW FREQUENCY; MICROWAVE TRANSITIONS; NONTRANSITION STATE; OUT-OF-PLANE; OUT-OF-PLANE VIBRATIONS; PLANAR MOLECULES; PLESSET PERTURBATION THEORY; POSITIVE VALUE; PULSED BEAMS; QUANTUM CHEMICAL CALCULATIONS; ROTATIONAL CONSTANTS; ROTATIONAL SPECTRA; SPECTROSCOPIC PROPERTY; SPLITTINGS; STRONG INTERACTION; STRUCTURE OPTIMIZATION; THEORETICAL STRUCTURE; VIBRATIONAL POTENTIALS;

BOND LENGTH; CENTRIFUGATION; DEFECTS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; MICROWAVE SPECTROSCOPY; MICROWAVES; MOLECULES; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY; STRUCTURAL OPTIMIZATION;

PHENOLS;

PHENOL; PYRONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; FOURIER ANALYSIS; HYDROGEN BOND; MICROWAVE RADIATION; QUANTUM THEORY; ROTATION;

DIMERIZATION; FOURIER ANALYSIS; HYDROGEN BONDING; MICROWAVES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHENOL; PYRONES; QUANTUM THEORY; ROTATION;

EID: 68549085277     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902555q     Document Type: Article

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