Substitution and protonation effects on spin-spin coupling constants in prototypical aromatic rings: C6H6, C5H 5N and C5H5P

Magnetic Resonance in Chemistry

Volumn 44, Issue 8, 2006, Pages 784-789

  Del Bene, Janet E ^a   Elguero, José ^b  

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

Aromatic rings (benzene, pyridine, and phosphinine); EOM CCSD; Protonated aromatic rings; Spin spin coupling constants

Indexed keywords

AROMATIZATION; BENZENE; EQUATIONS OF MOTION; NUMERICAL METHODS; PROTONATION;

AROMATIC RING (BENZENE, PYRIDINE, AND PHOSPHININE); AROMATIC RINGS; CCSD; COUPLING CONSTANTS; EOM-CCSD; PHOSPHININES; PROTONATED; PROTONATED AROMATIC RING; SPIN-SPIN COUPLING CONSTANTS;

PYRIDINE;

EID: 33746333525     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.1849     Document Type: Article

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