CF 3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations

Journal of Physical Chemistry A

Volumn 110, Issue 11, 2006, Pages 3957-3960

  Wang, Xianlong ^a   Mallory, Frank B ^a   Mallory, Clelia W ^a,d   Beckmann, Peter A ^a,b   Rheingold, Arnold L ^c   Francl, Michelle M ^a  

^a BRYN MAWR COLLEGE   (United States)

^b UNIVERSITY OF DELAWARE   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3-(TRIFLUOROMETHYL)PHENANTHRENE; BARRIER HEIGHT; POTENTIAL ENERGY SURFACES;

CRYSTAL ORIENTATION; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; POTENTIAL ENERGY; X RAY DIFFRACTION;

ORGANIC COMPOUNDS;

3 (TRIFLUOROMETHYL)PHENANTHRENE; 3-(TRIFLUOROMETHYL)PHENANTHRENE; FLUORINATED HYDROCARBON; FLUORINE; PHENANTHRENE DERIVATIVE; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; ROTATION; SENSITIVITY AND SPECIFICITY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; ELECTRONS; FLUORINE; HYDROCARBONS, FLUORINATED; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PHENANTHRENES; PROTONS; QUANTUM THEORY; ROTATION; SENSITIVITY AND SPECIFICITY;

EID: 84858569690     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056662y     Document Type: Article

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