Note on the contribution of a ring to the stability of conjugated molecules

✍ Scribed by Ivan Gutman; William C. Herndon

• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 248 KB
• Volume: 105
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(84)85030-7

✦ Synopsis

The concept of E(G/R), the effect of a ring on the total n-electronic cncrEy of a conju:atcd system has been introduced in previous work, and it has recently been shower that E(G/R) may sometimes bz a comple-xalued quantic. In rhe presenr paper. conditions under which E(G/R) is real or complex are determined. lr is also dcmonstrared char Coulson-Type inregral formulas used for the calculatmn of E(G/R) reproduce only the real part of E(G/R).