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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.
ISSN: 0925-3467
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Copyright: 2015 Elsevier B. V.
Appears in Collections:Research Papers (LAMP)

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