| Autor: |
Uwaisulqarni M. Osman, Azieda Syafika N. Farizal, Maisara Abdul Kadir, Mohd Hasmizam Razali, Mohd Zul Helmi Rozaini, Suhana Arshad |
| Jazyk: |
angličtina |
| Rok vydání: |
2019 |
| Předmět: |
|
| Zdroj: |
Data in Brief, Vol 27, Iss , Pp - (2019) |
| Druh dokumentu: |
article |
| ISSN: |
2352-3409 |
| DOI: |
10.1016/j.dib.2019.104673 |
| Popis: |
New compound, namely (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide was successfully synthesized using thiosemicarbazide with 4-(trifluoromethyl)-benzaldehyde in ethanol solution. The data presented in this articles is related to our research articles entitled “Crystal Structure of (Z)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide” (Osman et al., 2017) [1]. This work shows the continue data from experimental spectroscopic measurement which are Fourier Transform Infrared (FTIR) and 13C Nuclear Magnetic Resonance (13C NMR). Assessment on the correlation with theoretical computational data was also carried out through GaussView 5.0.9 and Gaussian09 software. Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital–Lowest Unoccupied Molecular Orbital (HOMO-LUMO) were also illustrated. Keywords: Synthesis, Thiosemicarbazide, DFT, Gaussian |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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