Line - mixing in the QQ sub branches of the ν 1 band of methyl chloride
نویسندگان
چکیده
Line-mixing effects have been studied in the ν 1 Q Q K (K from 0 to 10) sub branches of methyl chloride (CH 3 Cl) perturbed by nitrogen (N 2). Laboratory Fourier transform spectra have been recorded at room temperature for various pressures of atmospheric interest. In order to accurately model these spectra, a theoretical approach accounting for line-mixing effects is necessary and proposed in this study. The common model used in this work is based on the state-to-state rotational cross-sections calculated by a statistical modified exponential-gap fitting law depending on few empirical parameters. These parameters have been deduced by least-squares fitting a sum rule to the N 2-broadening coefficients modeled previously. Comparisons between experimental and calculated spectra for various Q Q sub branches and various pressures of N 2 demonstrate the adequacy of the model as compared to the use of the Voigt profile.
منابع مشابه
Binuclear Nickel(II) Complex Containing 6-Methyl-2,2'-bipyridine and Chloride Ligands: Synthesis, Characterization, Thermal Analyses, and Crystal Structure Determination
A new binuclear complex of [{NiCl(6-mbipy)}2(μ-Cl)2] (1) was prepared from the reaction of NiCl2.6H2O and 6-methyl-2,2'-bipyridine (6-mbipy) in a mixture of methanol and acetonitrile. Suitable crystals of 1 for X-ray diffraction measurement were obtained by slow evaporation of the resulted green solution at room ...
متن کاملSynthesis, Characterization, Molecular Docking and Cytotoxicity Studies of Bagasse Xylem Ferulate-Acrylamide/Methyl Methacrylate Composite
BXFL (bagasse xylem ferulate)-g-AM (acrylamide)/MAA (methyl methacrylate) was synthesized based on bagasse xylan(BX)-g-AM/MAA in 1-Butyl-3-methylimidazolium chloride ([Bmim] Cl) ion solution with Ferulic Acid (FL) as esterification agent. The various factors that were investigated influenced carboxylic acid ester substitution degree (DSC) of BXFL-g-AM/MAA. The structures of BXFL-...
متن کاملDFT Application to the Analysis of Quadrupole Coupling Constant of Aluminum Methyl Chloride Dimers
The analysis of the 27Al and 35Cl quadrupole coupling parameters of aluminum methyl chloride dimers were carried out on the basis of the density functional theory (DFT). The available experimental values of quarupole coupling constants were compared with their calculated ones. In this investigation, the correlations were made between calculated 27Al and 35Cl nuclear quadrupole coupling constant...
متن کاملCytotoxic and anticancer studies of an oxygen and nitrogen donor novel Schiff base ligand and its copper (II) complex
A selected solid complex of the Schiff base ligand derived from Glutaric anhydride with Cu(II) ion was synthesized and characterized by FT-IR, Electronic, ESR Spectral Analyses, Magnetic susceptibility and Molar Conductance Measurements. The disappearance of ν(O-H) hydroxyl band of the phenolic and the lowering shift of the stretching frequency of the ν(CH=N) azomethine band in the ligand after...
متن کاملThermodynamic Study of the Ternary Electrolyte (1-Butyl-3-methylimidazolium chloride + sodium chloride + Water) System Using Potentiometric Measurements
In this paper, the thermodynamic properties of the aqueous mixed electrolyte system containing 1-butyl-3-methylimidazolium chloride ([BMIm]Cl) and NaCl are reported based on the potentiometric method. The potentiometric measurements were performed on the galvanic cells without liquid junction of the type:Ag-AgCl [BMIm]Cl (m1), NaCl(m2), H2O│IL-...
متن کامل