CCC bond angle dependence of one bond 13C13C coupling constants

✍ Scribed by Martin Pomerantz; Shmuel Bittner

• Publisher: Elsevier Science
• Year: 1983
• Tongue: French
• Weight: 215 KB
• Volume: 24
• Category: Article
• ISSN: 0040-4039
• DOI: 10.1016/s0040-4039(00)81312-x

✦ Synopsis

It has been observed that one-bond 13C-13C coupling constants are almost invariant with C-C-C bond angles between tetrahedral and 127" for hydrocarbons where the central atom is a CH2 group. An empirical quadratic equation is obtained which relates lJCC with the internuclear C-C-C angle, '9. The recent report of Mislow and coworkers* on the dependence of one bond 13 C-H coupling constants on C-C-C bond angles has prompted us to now report our findings concerning one bond 13C-13C coupling constants. Mislow has reported that as the C-C-C bond angle, in a system where the central carbon atom is a CH2 group, becomes larger than tetrahedral, 'J CH decreases but much less than expected from previous work. In fact, the value for di-tert-butylmethane