Vibrational and quantum chemical studies of 1,2-difluoroethylenes: Spectra of 1,2-¹³C₂H₂F₂ species, scaled force fields, and dipole derivatives

Keyphrases

• Quantum Chemistry 100%
• Force Field 100%
• Trans Isomers 100%
• Force Dipole 100%
• Dipole Derivative 100%
• C-H Bond 66%
• Cis-1 66%
• Trans-1 66%
• Cis-isomer 66%
• Force Constants 33%
• Quantum Chemical Calculations 33%
• Gas-liquid 33%
• Scale Factor 33%
• Raman Spectra 33%
• B3LYP 33%
• G-base 33%
• Rotational Constants 33%
• Infrared Spectra 33%
• Stretching Frequencies 33%
• Fermi Resonance 33%
• Bending Behavior 33%
• C-H Stretching 33%
• Harmonic Contribution 33%
• Infrared Intensities 33%
• Vibrational Dependence 33%
• Atomic Polar Tensor 33%
• C-F Bond 33%
• Anharmonic Force Field 33%
• Centrifugal Distortion Constant 33%

Chemistry

• Trans Isomer 100%
• Cis Isomer 66%
• Møller-Plesset Perturbation Theory 33%
• Force Constant 33%
• Quantum Chemical Calculations 33%
• Rotational Constant 33%
• DFT-B3LYP Calculation 33%
• Fermi Resonance 33%
• Centrifugal Distortion Constant 33%
• Raman Spectra 33%
• Hydrogen Bond 33%
• Infrared Radiation 33%