Raman and infrared spectra and ab initio calculations for the determination of the conformational stability for fluorocarbonyl and acetyl isocyanate
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference8 articles.
1. Raman and infrared spectra, conformational stability and ab initio calculations for chlorocarbonyl isocyanate
2. FT-Raman spectrum and conformational stability of liquid chlorocarbonyl isocyanate
3. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
4. How reliable are ab initio calculations? Experimental and theoretical investigation of the structure and conformation of chlorocarbonyl isocyanate, ClC(O)NCO
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1. Large amplitude vibrations of acetyl isocyanate, methyl cyanoformate, and acetyl cyanate;Physical Chemistry Chemical Physics;2019
2. Microwave spectra, molecular structure and theoretical calculation of two isotopic species of acetyl isocyanate CD3C(O)NCO and 13CH3C(O)NCO;Journal of Molecular Spectroscopy;2009-07
3. Theoretical studies on the structure and spectroscopic properties of pseudohalides;Journal of Structural Chemistry;2008-09
4. Evidence of the formation and conversion of unstable thionyl isocyanate: Gas-phase spectroscopic studies;The Journal of Chemical Physics;2006-12-21
5. Experimental and theoretical studies on the electronic properties of acetyl pseudohalides CH3C(O)X (X=NCO, NCS and N3);Journal of Molecular Structure;2006-05
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