Theoretical studies of the inductive effect - 3. A thereotical scale of field parameters

✍ Scribed by S. Marriott; R.D. Topsom

• Book ID: 104220638
• Publisher: Elsevier Science
• Year: 1982
• Tongue: French
• Weight: 174 KB
• Volume: 23
• Category: Article
• ISSN: 0040-4039
• DOI: 10.1016/s0040-4039(00)87139-7

✦ Synopsis

It is shown that theoretica cahulations on simple systems at the ah initio 4-31G level are capable of reproducing inductive field parameters and can be used to extend the scale to substituents whose vaZues are less well estabtished. The transmission of polar effects in a-bonded systems continues to attract interest. 2-6 . It is now well established 2,5,6 that the predominant mechanism of transmission involves a direct through space electrostatic interaction, g enerally referred to as a field effect (F). Positive evidence for transmission via the alternative a-inductive effect, a progressive but diminishing relay of polar effects along a chain of carbon atoms, is hard to find except possibly in physical properties at very short distances. 5 Such sigma-inductive effects arise from substituent electronegativities Ml,.

In a recent communication' we have shown that the charge on the hy-