Do nonbonded H - H interactions in phenanthrene stabilize it relative to anthracene? A possible resolution to this question and its implications for ligands such as 2,2′bipyridyl

Journal of Physical Chemistry A

Volumn 116, Issue 33, 2012, Pages 8572-8583

  Hancock, Robert D ^a   Nikolayenko, Igor V ^b  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC STABILIZATION; BIPYRIDYL; DFT CALCULATION; GASPHASE; GROUND-STATE ENERGIES; HYDROGEN ATOMS; INTRAMOLECULAR HYDROGEN BONDING; NON-BONDING INTERACTIONS; NONBONDED INTERACTION; TORSION ANGLE;

CARBONYLATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; METAL IONS; SOLUTIONS; STABILIZATION;

ANTHRACENE;

2,2' BIPYRIDINE; ANTHRACENE; ANTHRACENE DERIVATIVE; HYDROGEN; LIGAND; PHENANTHRENE; PHENANTHRENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

2,2'-DIPYRIDYL; ANTHRACENES; HYDROGEN; LIGANDS; MOLECULAR STRUCTURE; PHENANTHRENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 84866403634     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp300035w     Document Type: Article

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