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http://nopr.niscpr.res.in/handle/123456789/45800| Title: | Molecular structure, spectral analysis and antimicrobial activity of (E)-2-amino-8-benzylidene-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile through DFT and AIM approach |
| Authors: | Kumar, Roop Verma, Anil Kumar Parveen, Huda Fatma, Shaheen Shukla, Shraddha Devi, Poornima Afza, Nishat Bishnoi, Abha |
| Keywords: | Antimicrobial activity;DFT approach;Correlation |
| Issue Date: | Feb-2019 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | 4H-pyran, (E)-2-amino-8-benzylidene-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (BCC) has been synthesised and characterized with the aid of various spectroscopic techniques, viz., 1H–NMR, 13C-NMR, FT-IR, UV-Visible, etc. The correlation of experimental and theoretical data of structural and vibrational studies of compound has also been explored by DFT approach using B3LYP and CAM-B3LYP/6-31G (d, p) basis sets. Biological evaluation reveals that the assayed compound exhibits excellent antibacterial and antifungal activity. |
| Page(s): | 132-143 |
| ISSN: | 0975-0959 (Online); 0301-1208 (Print) |
| Appears in Collections: | IJPAP Vol.57(02) [February 2019] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJPAP 57(2) 132-143.pdf | 1.18 MB | Adobe PDF | View/Open |
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