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

✍ Scribed by Robert G. Guy

• Publisher: John Wiley and Sons
• Year: 1988
• Tongue: English
• Weight: 188 KB
• Volume: 26
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.1260260610

✦ Synopsis

Substituent constants for the thiocyanato group (q:: = 0.94, ZEN = 0.45 and c:zs = 0.41) have heen derived by an additivity procedure, and shown to reproduce the chemical shifts of vinyl protons in a wide variety of a,fL unsaturated thiocyanates with an accuracy of kO.30 ppm in 94% of the cases studied. Deviations due to 'Bu and COR groups are discussed in terms of steric and field effects.