Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/46070| Title: | A theoretical investigation of the lowest Bu state of trans-butadiene |
| Authors: | Rai, Sachchida N Buenker, Robert J |
| Issue Date: | Apr-1992 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Results of an ab initio CI study of the lowest singlet Bu state of trans-butadiene are presented. It is found that a minimum exists for the 1 1Bu state of the present system in a geometry in which all C - C bond lengths are equal and both terminal CH2 groups are rotated by 10°. An attempt is made to provide an interpretation of the appearance of the broad intense π-π* band in the spectrum of trans-butadiene. |
| Page(s): | 215-218 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.31A(04) [April 1992] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 31A(4) 215-218.pdf | 4.64 MB | Adobe PDF | View/Open |
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