Substituted Methanes. XXIII. Infrared Spectral Data, Rotational Constants, Normal Coordinate Treatments, and Thermodynamic Properties for CD3Br and CH3Br
| Autor: | Richard B. Bernstein, Arnold G. Meister, Forrest F. Cleveland, Shirley E. Rosser, Herman B. Weissman |
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| Rok vydání: | 1955 |
| Předmět: | |
| Zdroj: | The Journal of Chemical Physics. 23:544-551 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.1742027 |
| Popis: | Infrared spectra were obtained between 400 and 4000 K with NaCl and KBr prisms. The a1 fundamentals for CD3Br are 2157, 993, and 578 K; for CH3Br they are 2972, 1305, and 611 K. For CD3Br, a least squares analysis of the observed wave numbers of the sub‐bands of σ6(e) gave for B1,A1,ζ, and σ0 the values 0.255 K, 2.529 K, 0.150, and 712.3 K; for σ5(e) the values were 0.257 K, 2.530 K, —0.339, and 1056.2 K. For σ4(e)=2293 K, the sub‐bands were not resolved, but the sum rule gave ζ4=0.240. The microwave value of B0 was used. The signs of B1—B0 for σ6 and σ5 are the same as those previously obtained for CH3I by use of the high‐dispersion records of Lagemann and Nielsen. For CH3Br, a least squares analysis of the grating data of Bennett and Meyer gave for σ6(e) : 0.315 K, 5.144 K, 0.217, and 955.4 K; for σ5(e) : 0.304 K, 5.062 K, —0.242, and 1448.2 K; and for σ4(e) : 0.321 K, 5.153 K, 0.064, and 3055.6 K. The sign of B1—B0 for σ6 is the same as for CH3I, but the signs for σ5 and σ4 are reversed. This inconsist... |
| Databáze: | OpenAIRE |
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