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http://nopr.niscpr.res.in/handle/123456789/18323| Title: | Determination of bond phase in HOMO/LUMO of fully-benzenoid hydrocarbons |
| Authors: | Morikawa, Tetsuo Narita, Susumu Shibuya, Tai-ichi |
| Issue Date: | Aug-2002 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Classical valence theory suggests the existence of 'quasi-single' bonds in a class of benzenoid hydrocarbons, called fully-benzenoid hydrocarbons such a bond connects one aromatic sextet with another. The phase of a bond is defined as the sign either plus for bonding or minus for antibonding. We conclude by use of perturbation molecular orbital theory that the bond phase of quasi-single bonds has always the minus sign in HOMO of fully-benzenoid hydrocarbons; the bond phase alters in HOMO and LUMO. |
| Page(s): | 1551-1553 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.41A(08) [August 2002] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 41A(8) 1551-1553.pdf | 568.04 kB | Adobe PDF | View/Open |
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