Indexing Metadata
Charge Transfer Transition: Investigation of the Effect of Solvents on Electronic Spectra of N-Alkyl/ N-Alkylphenyl Derivatives of p-Nitroaniline |
| DUBLIN | CORE | METADATA ITEM | METADATA FOR THIS DOCUMENT |
| 1 | Title | Title of Document | Charge Transfer Transition: Investigation of the Effect of Solvents on Electronic Spectra of N-Alkyl/ N-Alkylphenyl Derivatives of p-Nitroaniline |
| 2 | Creator | Author's name, affiliation, country | P. L. MARIA LINSHA, RESMI KARAMEL, S. RAMAKRISHNAN and M. GEORGE*
Department of Chemistry, Sacred Heart College (Autonomous),
Thevara, Kochi-682013, India
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| 3 | Subject | Dicipline(s) | Chemical Science |
| 3 | Subject | Keywords | Charge transfer transition, Solvatochromism, UV spectroscopy, Single solvent effect, TD-DFT calculation |
| 4 | Description | Abstract | The UV absorption spectra of N-alkyl and N-alkylphenyl derivatives of p-nitroaniline were recorded in acetone, acetonitrile, DMSO, toluene, chloroform and dichloromethane. The absorption maxima were calculated (TD-DFT) in the same solvents, using Gaussian 09 software package for windows at B3LYP/6-31G (d, p) level. Both calculated and experimental values of λmax increases with increase in solvent polarity indicating that the absorption involves a charge transfer transition. The interactions of a single molecule of polar and non-polar solvents with the substrate were studied by calculations. The results show that polar solvent (acetone) interacts more strongly than non-polar solvent (toluene) due to H bonding and causes a greater reduction in HOMO-LUMO gap and an increase in λmax. |
| 5 | Publishers | Organizing agency, location | WWW Publications, India |
| 6 | Contributor | Sponsor(s) | - |
| 7 | Date | Date (YYYY-MM-DD) | - |
| 8 | Type | Status & genre | Peer-reviewed Article |
| 8 | Type | Type | |
| 9 | Formate | File Formate | PDF |
| 10 | Identifier | Uniform Resource Identifier | Click Here |
| 10 | Identifier | Digital Object Identifier | |
| 11 | Source | Journal/conference title; vol., no. (Year) | Chemical Science Transactions, Volume 6 , Number (3), (2017) |
| 12 | Lanuguage | English=en | en |
| 13 | Relation | Supp.files | |
| 14 | Coverage | | - |
| 15 | Copyright | Copyright and permissions | |
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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