Is peri hydrogen repulsion responsible for flattening buckybowls? The effect of ring annelation to the rim of corannulene

Tetrahedron Letters

Volumn 44, Issue 24, 2003, Pages 4527-4529

  Dinadayalane, T C ^a   Deepa, S ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Buckybowls; DFT calculations; peri interactions; Ring annelation; Structure energy relations

Indexed keywords

ANNULENE DERIVATIVE; CORANNULENE; HYDROGEN; UNCLASSIFIED DRUG;

ANNELATION; ARTICLE; CALCULATION; CHEMICAL INTERACTION; CHEMICAL MODIFICATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS;

EID: 0038742064     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(03)01011-6     Document Type: Article

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19. -1 higher in energy compared to 4.