W. Kynaston

Vibrational spectra of monosubstituted pyridines

Abstract The infra-red (4000–400 cm−1) and Raman spectra of 2-, 3- and 4-chloro and bromopyridines have been measured. Complete assignments of the frequencies are proposed for these and the corresponding methyl pyridines, and for the Raman displacements of 2- and 3-fluoropyridine. The assignments are correlated with one another and with those for the deutero compounds.

Vibrational spectra of benzene derivatives—XIV: Mono substituted phenols

Abstract Values of all the fundamental frequencies are proposed for the fifteen substituted phenols, o -, m - or p -X C 6 H 4 OH (X = CH 3 , F, Cl, Br or I), in the monomeric state utilizing i.r. (3650–50 cm −1 ) and Raman spectra. The in-plane and out-of-plane COH vibrations are identified for all the molecules; the former is also identified for o -methoxyphenol.

Vibrational spectra of benzene derivatives—XII 1,2,4-trisubstituted compounds

Abstract Measurements of the infrared (3650–50 cm −1 and Raman spectra of fourteen tri-substituted benzenes with the 1, 2, 4 pattern of substitution are reported, and complete interpretation of the spectra are proposed.

Vibrational spectra of benzene derivatives—XI 1,3,5- and 1,2,3-trisubstituted compounds

Abstract The infrared (3650–50 cm−1) and Ramon spectra of twelve trisubstituted benzenes are reported and interpreted. Complete vibrational assignments are proposed for (a) the 1,3,5-trisubstituted compounds: 1,3,5-trimethylbenzene, 1-fluoro-, 1-amino-, 1-chloro-, and 1-bromo-3,5-dimethylbenzene; (b)the 1,2,3-trisubstituted compounds: 1,2,3-trimethyl-1-fluoro-2,6-dimethyl-, 1-fluoro-2,3-dimethyl-, 1-chloro-2,6-dimethyl-, 1-chloro-3-fluoro-2-methyl-, 2,6-dichloro-1-methyl- and 2,6-dichloro-1-fluorobenzene.

The vibrational spectra of the dimethylpyridines

Abstract The infrared (4000-50 cm −1 ) and Raman Spectra of the six dimethylpyridines (lutidines) have been measured, and assignments are proposed for all the fundamental frequencies.

The vibrational spectra of 1,4-dioxadiene

Abstract The preparation of 1,4-dioxadiene is described and the Raman spectrum of the liquid and infra-red spectra of the liquid and gas phases are reported. A vibrational assignment is proposed and it is concluded that the molecule is planar and is not highly conjugated.

Vibrational spectra of benzene derivatives—XV: The dimethylphenols, 2,6-, 2,5- and 3,4-dichlorophenol

Abstract The i.r. (3660–50 cm−1) and Raman spectra of the six dimethylphenols (xylenols), and the infrared spectrum of 2,6-, 2,5- and 3,4-dichlorophenol, are reported and interpreted with the aid of the i.r. spectra of the O-deuterated derivatives of four of the compounds. Values are proposed for the majority of the fundamental vibrations of the nine compounds.

The vibrational spectra of propionyl fluoride, propionyl chloride and propionyl bromide; calculated thermodynamic functions of acetyl and propionyl halides

Abstract The i.r. spectra from 60 to 4000 cm −1 , and the Raman spectra with polarization data, are reported for propionyl fluoride, propionyl chloride and propionyl bromide. Infrared band contours and Raman depolarization measurements are consistent with the stable rotamer of each compound having a cis configuration. The difference in enthalpy between the cis and higher energy rotamer of each compound has been measured. Complete vibrational assignments for the cis rotamers are given. Ideal gas state thermodynamic functions have been calculated for acetyl fluoride, acetyl chloride, acetyl bromide, propionyl fluoride, propionyl chloride and propionyl bromide over the temperature range 273.15–1500°K.

The vibrational spectra of propanal, 1-deuteropropanal and 2,2-dideuteropropanal

Abstract The i.r. spectra from 80 to 4000 cm −1 , and the Raman spectra with polarization data, are reported for CH 3 CH 2 CHO, CH 3 CH 2 CDO and OH 3 CD 2 CHO. Complete vibrational assign- ments are presented for the 24 fundamentals of the cis rotamers of each compound. The new vibrational assignment of propanal gives satisfactory agreement between calculated and recently determined experimental ideal gas state values of entropy and heat capacity.

Vibrational spectra of benzene derivatives—V: Phenylphosphine, dichlorophenylphosphine, and some related compounds

Abstract Measurements are reported of the infrared spectrum (650-200 cm −1 ) of phenylphosphine, and of the infrared (3650-200 cm −1 ) and Raman spectra of dichlorophenylphosphine. The interpretation of these spectra, and those for some related compounds, are discussed.