Literature DB >> 12605470

How do ring currents affect (1)h NMR chemical shifts?

Chaitanya S Wannere1, Paul Von Ragué Schleyer.   

Abstract

Conventional explanations of proton NMR chemical shifts need fundamental revisions. Ab initio (IGLO) analyses reveal that the downfield delta (1)H of benzene is not due to deshielding ring current effects; the shielding is less than the pi contribution to vinyl delta (1)Hs. Enhanced deshielding sigma CC influences are responsible for the more downfield delta (1)Hs of the inner protons of naphthalene and anthracene. Double pi effects shield ethynyl Hs; there is no evidence for a special "ring current influence."

Entities:  

Year:  2003        PMID: 12605470     DOI: 10.1021/ol027327k

Source DB:  PubMed          Journal:  Org Lett        ISSN: 1523-7052            Impact factor:   6.005


  10 in total

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  10 in total

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