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

Please use this identifier to cite or link to this item: http://hdl.handle.net/2289/6380

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
Authors:	Susan John, Jerin Sajan, D. Umadevi, T. Chaitanya, K. Sankar, Pranitha Philip, Reji
Keywords:	X-ray diffraction FT-IR and FT-Raman Quantum mechanical method of computation NBO; Nonlinear optical materials
Issue Date:	Oct-2015
Publisher:	Elsevier B. V.
Citation:	Optical Materials, 2015, Vol. 48, p 233-242
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.
Description:	Restricted Access.
URI:	http://hdl.handle.net/2289/6380
ISSN:	0925-3467
Alternative Location:	http://dx.doi.org/10.1016/j.optmat.2015.08.002
Copyright:	2015 Elsevier B. V.
Appears in Collections:	Research Papers (LAMP)

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