A series of 23 bridgehead-substituted bicyclo[l.l.l]pentanes were synthesized and the 3J(Cl-H) coupling constants determined from their proton-coupled I3C NMR spectra. It was found that the values of the couplings are strongly dependent upon the type of substituent present, with powerful effects exe
✦ LIBER ✦
Theoretical Study of Remote Substituent Effects on X–H(X=CH2, NH, O) Bond Dissociation Energies of Azulene
✍ Scribed by Yi-Yun Yu; Yao Fu; Lei Liu; Qing-Xiang Guo
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 151 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0256-7660
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## Abstract The bond‐formation processes between the d^10^ metal fragments Ni(PR~3~)~2~ (R = H, CH~3~, F, CF~3~, Ph) and acetylene have been studied by density functional theory with the BP86 functional and large TZV(2df,2pd) basis sets. The Ni–acetylene bonds have been analyzed in terms of distort