Pseudohalogen chemistry. VIII —Substituent constants ( Z ) for the thiocyanato group in the estimation of the chemical shifts of vinyl protons in α,β‐unsaturated thiocyanates | Zendy

Guy Robert G. | Zendy

Premium

Pseudohalogen chemistry. VIII —Substituent constants ( Z ) for the thiocyanato group in the estimation of the chemical shifts of vinyl protons in α,β‐unsaturated thiocyanates

Author(s) -

Guy Robert G.

Publication year - 1988

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.1260260610

Subject(s) - chemistry , substituent , steric effects , additive function , chemical shift , group (periodic table) , computational chemistry , medicinal chemistry , stereochemistry , organic chemistry , mathematical analysis , mathematics

Substituent constants for the thiocyanato group ( Z gem SCN= 0.94, Z cis SCN= 0.45 and Z trans SCN = 0.41) have been derived by an additivity procedure, and shown to reproduce the chemical shifts of vinyl protons in a wide variety of α,β‐unsaturated thiocyanates with an accuracy of ±0.30 ppm in 94% of the cases studied. Deviations due to t Bu and COR groups are discussed in terms of steric and field effects.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research