1-(4-CHLOROPHENYL) PIPERAZINE: FT-IR, RAMAN, NMR AND THEORETICAL STUDIES

Gokhan DİKMEN

doi:https://doi.org/10.18038/aubtda.376154

Article Details

1-(4-CHLOROPHENYL) PIPERAZINE: FT-IR, RAMAN, NMR AND THEORETICAL STUDIES

Authors:

Gokhan DİKMEN

Publisher:

Eskisehir Technical University

Journal:

Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 2019 Vol.20 Issue 2, pp.133-142

Document Type:

Article

Publication Date:

5/2019

Document Language:

English

Document ID (Org No.):

2000416999

pISSN:

2667-4211

DOI:

https://doi.org/10.18038/aubtda.376154

Abstract:

 

This paper were investigated spectroscopic studies of 1-(4-Chlorophenyl) piperazine (14CPP) with nuclear magnetic resonance (NMR), Fourier transform infrared (FTIR) and Raman techniques. The conformational analysis, vibrational spectra, vibrational assignments and nuclear magnetic shielding tensors of title molecule were examined by the density functional theory (DFT), using the Becke-3-Lee-Yang-Parr (B3LYP) functional and the 6-311++G(d,p) basis sets. Moreover, energy gap values (HOMO-LUMO) of title molecule was performed using TD-DFT/B3LYP/6-311++G(d,p) method. There is a good agreement between the experimentally obtained data and theoretically obtained data.

Article Details

1-(4-CHLOROPHENYL) PIPERAZINE: FT-IR, RAMAN, NMR AND THEORETICAL STUDIES

Authors: Gokhan DİKMEN

Publisher: Eskisehir Technical University

Journal: Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 2019 Vol.20 Issue 2, pp.133-142

Document Type: Article

Publication Date: 5/2019

Document Language: English

Document ID (Org No.): 2000416999

pISSN: 2667-4211

DOI: https://doi.org/10.18038/aubtda.376154

Issues

Authors:

Gokhan DİKMEN

Publisher:

Eskisehir Technical University

Journal:

Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 2019 Vol.20 Issue 2, pp.133-142

Document Type:

Article

Publication Date:

5/2019

Document Language:

English

Document ID (Org No.):

2000416999

pISSN:

2667-4211

DOI:

https://doi.org/10.18038/aubtda.376154