Dependence of one‐bond deuterium isotope shifts in  13 C NMR on CH bond lengths for substituted and unsubstituted aromatic compounds | Zendy

Nakashima Yasuki | Zendy; Teranishi Takashi | Zendy; Suzuki Toshiya | Zendy; Sone Tyo | Zendy; Takahashi Kensuke | Zendy

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Dependence of one‐bond deuterium isotope shifts in 13 C NMR on CH bond lengths for substituted and unsubstituted aromatic compounds

Author(s) -

Nakashima Yasuki,

Teranishi Takashi,

Suzuki Toshiya,

Sone Tyo,

Takahashi Kensuke

Publication year - 1994

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1260321003

Subject(s) - chemistry , deuterium , bond length , kinetic isotope effect , mndo , deuterium nmr , carbon 13 nmr , isotope , computational chemistry , chemical shift , bond order , crystallography , stereochemistry , molecule , organic chemistry , crystal structure , nuclear physics , physics

One‐bond deuterium‐induced isotope shifts of 13 C NMR ( 1 Δ) for 106 sp 2 ‐hybridized carbons are discussed in terms of CH bond lengths. 1 Δ correlates linearly with the related CH bond length calculated by the MNDO MO method by the equation 1 Δ(ppb)=8350 r CH (Å) – 8824.

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