Spectroscopic (FT-IR, FT-Raman) investigations and quantum chemical calculations of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Authors :: Renjith, R.
Mary, Y. Sheena
Panicker, C. Yohannan
Varghese, Hema Tresa
Pakosińska-Parys, Magdalena
Van Alsenoy, C.
Al-Saadi, Abdulaziz A.
Source :: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Aug2014, Vol. 129, p438-450. 13p.
Publication Year :: 2014
Abstract: Highlights: [•] IR, Raman spectra and NBO analysis were reported. [•] The wavenumbers are calculated theoretically using Gaussian09 software. [•] The wavenumbers are assigned using PED analysis. [•] The geometrical parameters are in agreement with that of similar derivatives. [Copyright &y& Elsevier]

Subjects :: *FOURIER transform infrared spectroscopy
*RAMAN spectroscopy
*QUANTUM chemistry
*NATURAL orbitals
*GEOMETRIC analysis
*WAVENUMBER

Language :: English
ISSN :: 13861425
Volume :: 129
Database :: Academic Search Index
Journal :: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy
Publication Type :: Academic Journal
Accession number :: 96247248
Full Text :: https://doi.org/10.1016/j.saa.2014.03.077

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