Synthesis, crystal structure, vibrational spectral analysis and Z-scan studies of a new organic crystal N,N′dimethylurea ninhydrin: A scaled quantum mechanical force field study
| dc.contributor.author | Susan John, Jerin | |
| dc.contributor.author | Sajan, D. | |
| dc.contributor.author | Umadevi, T. | |
| dc.contributor.author | Chaitanya, K. | |
| dc.contributor.author | Sankar, Pranitha | |
| dc.contributor.author | Philip, Reji | |
| dc.date.accessioned | 2016-09-19T07:28:29Z | |
| dc.date.available | 2016-09-19T07:28:29Z | |
| dc.date.issued | 2015-10 | |
| dc.description | Restricted Access. | en_US |
| dc.description.abstract | A new organic material, N,N′dimethylurea ninhydrin (3a,8a-dihydroxy-1,3-dimethyl-1,3,3a,8a-tetrahydroindeno[2,1-d]imidazole-2,8-dione) (NDUN) was synthesized. Structural details were obtained from single crystal X-ray diffraction (XRD) data. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. TG/DTA and 1H NMR studies were carried out. Linear optical properties were studied from UV–Vis spectra. From the open aperture Z-scan data, it is found that the molecule shows third order nonlinear optical behaviour due to two photon absorption (2PA) mechanism. | en_US |
| dc.identifier.citation | Optical Materials, 2015, Vol. 48, p 233-242 | en_US |
| dc.identifier.issn | 0925-3467 | |
| dc.identifier.uri | http://hdl.handle.net/2289/6380 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsevier B. V. | en_US |
| dc.relation.uri | http://dx.doi.org/10.1016/j.optmat.2015.08.002 | en_US |
| dc.rights | 2015 Elsevier B. V. | en_US |
| dc.subject | X-ray diffraction | en_US |
| dc.subject | FT-IR and FT-Raman | en_US |
| dc.subject | Quantum mechanical method of computation | en_US |
| dc.subject | NBO; Nonlinear optical materials | en_US |
| dc.title | Synthesis, crystal structure, vibrational spectral analysis and Z-scan studies of a new organic crystal N,N′dimethylurea ninhydrin: A scaled quantum mechanical force field study | en_US |
| dc.type | Article | en_US |