Stable ion NMR and GIAO-DFT study of novel cations from 8,16-dicyano[2.2]metacyclophanedienes and from strategically substituted/benzannelated dihydropyrenes: Charge-induced tropicity modulation and π-switching

Journal of Organic Chemistry

Volumn 73, Issue 2, 2008, Pages 457-466

  Laali, Kenneth K ^a   Okazaki, Takao ^a   Mitchell, Reginald H ^b   Ayub, Khurshid ^b   Zhang, Rui ^b   Robinson, Stephen G ^b  

^a KENT STATE UNIVERSITY   (United States)

^b UNIVERSITY OF VICTORIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE; POSITIVE IONS; QUENCHING;

CHARGE DELOCALIZATION; RING PROTONATION;

ORGANIC COMPOUNDS;

ACID; ANNULENE DERIVATIVE; BROMINE DERIVATIVE; CARBON MONOXIDE; CARBOXYLIC ACID DERIVATIVE; CATION; CYCLOPHANE DERIVATIVE; EPOXIDE; ESTER; FUNCTIONAL GROUP; KETONE DERIVATIVE; METHYL GROUP; NITRILE; PYRENE DERIVATIVE; 8,16 DICYANO(2.2)METACYCLOPHANE 1,9 DIENE; 8,16-DICYANO(2.2)METACYCLOPHANE-1,9-DIENE; FLUORIDE; FLUOROSULFONIC ACID; ION; PROTON; SULFURIC ACID; UNCLASSIFIED DRUG;

ARTICLE; CONJUGATION; DENSITY FUNCTIONAL THEORY; ELECTRON; NUCLEAR MAGNETIC RESONANCE; OXIDATION; PROTON TRANSPORT; RING CLOSING METATHESIS; SYNTHESIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STEREOISOMERISM;

CATIONS; COMPUTER SIMULATION; FLUORIDES; IONS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR STRUCTURE; NITRILES; PROTONS; PYRENES; QUANTUM THEORY; STEREOISOMERISM; SULFURIC ACIDS;

EID: 40949123773     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo701932j     Document Type: Article

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