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Vibrational Spectroscopic Study of (E)-4-(Benzylideneamino)-N-Carbamimidoyl Benzenesulfonamide
Joint Authors
Rajendran, G.
Mary, Sheena
Panicker, C. Yohannan
Varghese, Hema Tresa
Chandran, Asha
Manojkumar, T. K.
Alsenoy, Christian Van
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-01-19
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
The Fourier transform infrared and Fourier transform Raman spectra of (E)-4-(benzylideneamino)-N-carbamimidoyl benzenesulfonamide were recorded and analyzed.
Geometry and harmonic vibrational wavenumbers were calculated theoretically using Gaussian 03 set of quantum chemistry codes.
Calculations were performed at the Hartree-Fock (HF) and density functional theory (DFT; B3PW91, B3LYP) levels of theory.
The calculated wavenumbers (B3LYP) agree well with the observed wavenumbers.
Potential energy distribution is done using GAR2PED program.
The red shift of the N-H stretching band in the infrared spectrum from the computed wavenumber indicates the weakening of the N-H bond.
The geometrical parameters of the title compound are in agreement with that of reported similar derivatives.
The calculated first hyperpolarizability is comparable with the reported value of similar derivative and may be an attractive object for further studies of nonlinear optics.
Potential energy surface scan studies have been carried out to understand the stability of planar and nonplanar structures of the molecule.
American Psychological Association (APA)
Chandran, Asha& Mary, Sheena& Varghese, Hema Tresa& Panicker, C. Yohannan& Manojkumar, T. K.& Alsenoy, Christian Van…[et al.]. 2012. Vibrational Spectroscopic Study of (E)-4-(Benzylideneamino)-N-Carbamimidoyl Benzenesulfonamide. ISRN Analytical Chemistry،Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-468894
Modern Language Association (MLA)
Chandran, Asha…[et al.]. Vibrational Spectroscopic Study of (E)-4-(Benzylideneamino)-N-Carbamimidoyl Benzenesulfonamide. ISRN Analytical Chemistry No. 2012 (2012), pp.1-11.
https://search.emarefa.net/detail/BIM-468894
American Medical Association (AMA)
Chandran, Asha& Mary, Sheena& Varghese, Hema Tresa& Panicker, C. Yohannan& Manojkumar, T. K.& Alsenoy, Christian Van…[et al.]. Vibrational Spectroscopic Study of (E)-4-(Benzylideneamino)-N-Carbamimidoyl Benzenesulfonamide. ISRN Analytical Chemistry. 2012. Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-468894
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-468894