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http://nopr.niscpr.res.in/handle/123456789/15640| Title: | AM1 study on the conformations of thiazolylazo dyes 2-[2-(6-methylbenzothiazolyl) azo]-5-dimethylaminobenzoic acid and 2-[2-(6-methylbenzothiazolyl) azo]-5-diethylaminobenzoic acid |
| Authors: | Fan, Xuezhong Zhu, Chunhua Gongh, Xuedong Xiaoh, Heming |
| Issue Date: | Mar-1999 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The geometries and electronic structures of 2- [2-(6-methylbenzothiazolyl)azo]-5-dimethylaminobenzoic acid (6-Me-BTAMB) and 2-[2-(6-methylbenzothiazolyl)azo]-5-diethylaminobenzoic acid (6-Me-BTAEB) have been fully optimized and calculated by semiempirical molecular orbital AM1 method. The mechanism of protonation for nitrogen atoms in 6-Me-BTAMB or 6-Me-BTAEB has been studied by comparison of net charges on nitrogen atoms in the different positions of the molecules. |
| Page(s): | 267-270 |
| Appears in Collections: | IJC-A Vol.38A(03) [March 1999] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 38A(3) 267-270.pdf | 658.87 kB | Adobe PDF | View/Open |
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