Correlation data of (Z)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide via Spectroscopic methods and Density Functional Theory studies

Published: 5 August 2019| Version 1 | DOI: 10.17632/gm7yctm5jm.1
Contributor:
Uwaisulqarni M. Osman

Description

All raw data are experimental Fourier Transform- Infrared (FT-IR) and carbon-13 Nuclear Magnetic Resonance (NMR) which obtained from Bruker Invenio S and Bruker Avance II 400 MHz machine, respectively. In addition, raw data for theoretical FT-IR, NMR, Molecular Electrostatic Potential and Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital (HOMO – LUMO) from Gaussian 09 software are also included. All data are important in structure elucidation of the title compound.

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Institutions

Universiti Malaysia Terengganu

Categories

Chemistry, Spectroscopy

Related Links

Article
https://www.jstage.jst.go.jp/article/xraystruct/33/0/33_3/_article/-char/en
is related to this dataset

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