Synthesis, molecular structure, spectroscopic characterization and quantum chemical calculation studies of (2E)-1-(5-chlorothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

2015 ◽  
Vol 1085 ◽  
pp. 63-77 ◽  
Author(s):  
C.S. Chidan Kumar ◽  
K. Govindarasu ◽  
Hoong-Kun Fun ◽  
E. Kavitha ◽  
Siddegowda Chandraju ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Spectroscopic Characterization ◽  
Chemical Calculation

scholarly journals VIBRATION SPECTRUM AND MOLECULAR STRUCTURE OF 3-AMINOPHTHALIMIDE BY IR SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATION

2018 ◽  
Vol 59 (3) ◽  
pp. 35
Author(s):  
Denis S. Savelyev ◽  
Mikhail K. Islyaikin ◽  
Georgiy V. Girichev
Keyword(s):  
Molecular Structure ◽  
Ir Spectroscopy ◽  
Ir Spectra ◽  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Vibration Spectrum ◽  
Low Frequency ◽  
Chemical Calculation ◽  
Chemical Methods ◽  
Quantum Chemical Methods

The IR spectra of solid 3-aminophthalimide (3-AF) were obtained and interpreted. Quantum-chemical calculations of vibration spectra were performed at different theory levels. Comparison of experimental and calculated IR spectra shows a variability of quantum chemical methods in predicting vibration spectrum in low-frequency field and fine features of geometric structure of the molecule of 3-AF.

Sign in / Sign up

Export Citation Format

Share Document