Vibrational spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations and computational study of 5-nitro-2-(4-nitrobenzyl) benzoxazole

DOI: 10.1016/j.saa.2012.09.032

Source and publish data:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy p. 99 - 113 (2013)

Update date:2022-08-04

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Authors:

Bhagyasree

Varghese, Hema Tresa

Panicker, C. Yohannan

Samuel, Jadu

Van Alsenoy, Christian

Bolelli, Kayhan

Yildiz, Ilkay

Aki, Esin

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Article abstract of DOI:10.1016/j.saa.2012.09.032

The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 5-nitro-2-(4-nitrobenzyl) benzoxazole have been investigated experimentally and theoretically using Gaussian09 software package. Potential energy distribu

Full text of DOI:10.1016/j.saa.2012.09.032

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