Fourier Transform Infrared Spectroscopy of “Bisphenol A”
FTIR (400–4000 cm−1) spectra of “Bisphenol A” are presented. Absorption peaks (400–4000 cm−1) are assigned on the basis of Density Functional Theory (DFT) with configuration as B3LYP 6-311G++ (3df 3pd). Calculated absorption peaks are in reasonable reconciliation with experimental absorption peaks a...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2016-01-01
|
| Series: | Journal of Spectroscopy |
| Online Access: | http://dx.doi.org/10.1155/2016/2073613 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832552638005116928 |
|---|---|
| author | Ramzan Ullah Ishaq Ahmad Yuxiang Zheng |
| author_facet | Ramzan Ullah Ishaq Ahmad Yuxiang Zheng |
| author_sort | Ramzan Ullah |
| collection | DOAJ |
| description | FTIR (400–4000 cm−1) spectra of “Bisphenol A” are presented. Absorption peaks (400–4000 cm−1) are assigned on the basis of Density Functional Theory (DFT) with configuration as B3LYP 6-311G++ (3df 3pd). Calculated absorption peaks are in reasonable reconciliation with experimental absorption peaks after scaling with scale factor of 0.9679 except C-H and O-H stretching vibrations. |
| format | Article |
| id | doaj-art-4d06907f1c7243cca0754a1a92448af3 |
| institution | Kabale University |
| issn | 2314-4920 2314-4939 |
| language | English |
| publishDate | 2016-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Spectroscopy |
| spelling | doaj-art-4d06907f1c7243cca0754a1a92448af32025-02-03T05:58:11ZengWileyJournal of Spectroscopy2314-49202314-49392016-01-01201610.1155/2016/20736132073613Fourier Transform Infrared Spectroscopy of “Bisphenol A”Ramzan Ullah0Ishaq Ahmad1Yuxiang Zheng2Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, ChinaDepartment of Physics, COMSATS Institute of Information Technology, Islamabad 45550, PakistanShanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, ChinaFTIR (400–4000 cm−1) spectra of “Bisphenol A” are presented. Absorption peaks (400–4000 cm−1) are assigned on the basis of Density Functional Theory (DFT) with configuration as B3LYP 6-311G++ (3df 3pd). Calculated absorption peaks are in reasonable reconciliation with experimental absorption peaks after scaling with scale factor of 0.9679 except C-H and O-H stretching vibrations.http://dx.doi.org/10.1155/2016/2073613 |
| spellingShingle | Ramzan Ullah Ishaq Ahmad Yuxiang Zheng Fourier Transform Infrared Spectroscopy of “Bisphenol A” Journal of Spectroscopy |
| title | Fourier Transform Infrared Spectroscopy of “Bisphenol A” |
| title_full | Fourier Transform Infrared Spectroscopy of “Bisphenol A” |
| title_fullStr | Fourier Transform Infrared Spectroscopy of “Bisphenol A” |
| title_full_unstemmed | Fourier Transform Infrared Spectroscopy of “Bisphenol A” |
| title_short | Fourier Transform Infrared Spectroscopy of “Bisphenol A” |
| title_sort | fourier transform infrared spectroscopy of bisphenol a |
| url | http://dx.doi.org/10.1155/2016/2073613 |
| work_keys_str_mv | AT ramzanullah fouriertransforminfraredspectroscopyofbisphenola AT ishaqahmad fouriertransforminfraredspectroscopyofbisphenola AT yuxiangzheng fouriertransforminfraredspectroscopyofbisphenola |