Influence of σ-hyperconjugative interactions on 13C substituent chemical shifts: Experimental and theoretical study in 1-X,3-CH 3-bicyclo[1.1.1]pentanes

Magnetic Resonance in Chemistry

Volumn 42, Issue SPL.ISS.1, 2004, Pages

  Contreras, Rubén H ^a   Esteban, Angel L ^b   Díez, Ernesto ^c   Della, Ernest W ^d   Lochert, Ian J ^d,e  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF ALICANTE   (Spain)

^c UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^d FLINDERS UNIVERSITY   (Australia)

^e DEFENCE SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

Author keywords

Bicyclo 1.1.1 pentanes; NMR; Substituent effects; hyperconjugative interactions

Indexed keywords

CHEMICAL BONDS; PARAFFINS;

BICYCLO[1.1.1]PENTANE; DFT/B3LYP CALCULATIONS; HYPERCONJUGATIVE INTERACTIONS; MAGNETIC SHIELDING CONSTANT; NATURAL BOND ORBITAL; SUBSTITUENT EFFECT; THEORETICAL STUDY; Σ-HYPERCONJUGATIVE INTERACTION;

CHEMICAL SHIFT;

EID: 33645816468     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.1471     Document Type: Article

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