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Can I read The vibrational spectra and normal coordinates analysis of bromofluoromethane, CH 2 BrF on EtoBox?
The vibrational spectra and normal coordinates analysis of bromofluoromethane, CH 2 BrF by A Baldacci; A Baldan; A Gambi; P Stoppa is a Chemistry article available to read on EtoBox.
What is The vibrational spectra and normal coordinates analysis of bromofluoromethane, CH 2 BrF about?
The infrared gas-phase spectra of bromofluoromethane (CH 2 BrF) have been studied in the region below 6200 cm Ϫ1 under conditions of medium resolution. All the fundamentals and many overtones, combination and hot bands have been assigned leading to an almost complete set of anharmonicity constants. Rotational analyses have been performed on the observed Qbranch features of over 10 bands. Enriched 79 Br and 81 Br samples were also employed to confirm vibrational assignment and supply further data. Analyses of Fermi resonance are made. The molecular structure was calculated ab initio at the Hartree-Fock (HF), the second-order Møller-Plesset (MP2) and the density functional theory (DFT) level with the 6-311ϩϩG(3df, 2pd) basis set. The ab initio force constants obtained from the vibrational analysis at B3LYP/6-311ϩϩG(3df, 2pd) level of theory were employed to fit the experimental data and an optimal harmonic force field was obtained for the CH 2 BrF molecule.
Who reads The vibrational spectra and normal coordinates analysis of bromofluoromethane, CH 2 BrF?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- A Baldacci; A Baldan; A Gambi; P Stoppa
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-2860)
- Published
- 2000
- Language
- EN
- Field
- Chemistry (Physical Sciences)