DFT calculations on the protonation of two 1,3-butadiyne units fixed in medium-sized rings

Journal of Organic Chemistry

Volumn 71, Issue 14, 2006, Pages 5126-5135

  Esser, Birgit ^a   Gleiter, Rolf ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; AROMATIC HYDROCARBONS; CALCULATIONS; CHEMICAL ANALYSIS; PROTONS; QUANTUM THEORY;

BUTADIYNE; PROTONATION; REGIOCHEMISTRY; SINGLE-POINT CALCULATIONS;

BUTADIENE;

1 AZACYCLOHEXADECA 3,5,12,14 TETRAYNE; 1 AZACYCLOPENTADECA 3,6,11,13 TETRAYNE; 1 AZACYCLOTETRADECA 3,5,10,12 TETRAYNE; 1,3 BUTADIYNE; 1,8 DIAZACYCLOTETRADECA 3,5,10,12 TETRAYNE; ALKYNE; AROMATIC COMPOUND; BICYCLO COMPOUND; CATION; CHLORIDE ION; HYDROCHLORIC ACID; UNCLASSIFIED DRUG; VINYL DERIVATIVE;

ARTICLE; DENSITY FUNCTIONAL THEORY; M MODE ECHOCARDIOGRAPHY; MODEL; MOLECULAR SIZE; MOLECULAR STABILITY; PROTON TRANSPORT; QUANTUM CHEMISTRY; RING CLOSING METATHESIS; STEREOCHEMISTRY;

EID: 84961974955     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo060426h     Document Type: Article

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