Molecular Structure, Spectroscopic Properties (FT-IR, Micro-Raman and UV-vis) and DFT Calculations of Minaprine

2014 ◽  
Vol 117 (1) ◽  
pp. 86-99
Author(s):  
H. Gökce ◽  
S. Bahçeli
Keyword(s):  
Molecular Structure ◽  
Dft Calculations ◽  
Spectroscopic Properties ◽  
Ft Ir

Experimental (FT-IR and FT-Raman) and spectroscopic investigations, electronic properties and conformational analysis by PES scan on 2-methoxy-5-nitrophenol and 2-methoxy-4-methylphenol

RSC Advances ◽  
2016 ◽  
Vol 6 (26) ◽  
pp. 21822-21831 ◽  
Author(s):  
R. Meenakshi
Keyword(s):  
Molecular Structure ◽  
Dft Calculations ◽  
Quantum Mechanical ◽  
Mechanical Approach ◽  
Ft Ir ◽  
Hf And Dft Calculations ◽  
Molecular Structure Analysis ◽  
Quantum Mechanical Approach ◽  
Pes Scan ◽  
Ft Raman

A complete vibrational and molecular structure analysis is performed based on the quantum mechanical approach by HF and DFT calculations.

scholarly journals Synthesis, molecular structure, spectroscopic and computational studies on 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as Functionalized Phthalonitrile

2019 ◽  
Vol 38 (1) ◽  
pp. 63 ◽  
Author(s):  
Pinar Sen ◽  
Salih Zeki Yıldız ◽  
Vildan Enisoglu Atalay ◽  
Sibel Demir Kanmazalp ◽  
Necmi Dege
Keyword(s):  
Molecular Structure ◽  
Functional Group ◽  
Spectroscopic Properties ◽  
Comparative Approach ◽  
Computational Studies ◽  
Crystal Data ◽  
X Ray ◽  
Elemental Analyses ◽  
Ft Ir

This work presents the synthesis and characterization of a novel compound, 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as the aldehyde functional group substituted phthalonitrile derivative. The spectroscopic properties of the compound were examined by FT-IR, 1H-NMR, 13C-NMR, UV-vis, MS, elemental analyses. The molecular structure of the compound was also confirmed using X-ray single-crystal data with a theorical comparative approach.

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