Raman polarization measurements on liquids using 180°, He/Ne laser excitation—The skeletal bending modes of acetone and acetone-d6

Allkins, James R.; Lippincott, Ellis R.

doi:10.1016/0584-8539(69)80050-4

Cited by 22 publications

(7 citation statements)

References 9 publications

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“…According to the PED the wavenumber 413 cm 1 is correlated with the (C-O) mode and the wavenumber 467 cm 1 with the ring distortion mode. The assignment of the (C-O) mode at 413 cm 1 is well supported by Allkins and Lippincott, 19 Handi et al 20 and others. 1,17,21…”

Section: Non-planar Modessupporting

confidence: 65%

Normal coordinate analyses of three isomeric acetylpyridines and acetophenone

Sett

Chattopadhyay

Mallick

2000

J. Raman Spectrosc.

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Normal coordinate analyses for 2-, 3-and 4-acetylpyridine and acetophenone were carried out employing a systematic procedure based on a modified valence force field that is comparable to those used previously for different aromatic molecules. The general valence force fields (GVFF) were determined using a set of 41 parameters (25 planar and 16 non-planar) for the above compounds to compare the observed wavenumbers with the calculated values satisfactorily with an average error of 7.0 cm −1 (0.82%) for in-plane and 9.2 cm −1 (1.60%) for out-of-plane modes. On the basis of the calculated potential energy distribution, certain revisions of the previous assignments were made. The decomposition of the normal mode wavenumbers into those related to different internal coordinates is discussed. EXPERIMENTALThe three isomeric acetylpyridines and acetophenone were supplied by Fluka, Ega-Chemie, Sigma and SRL (India) in 98%, 99%, 97% and 99% purity, respectively and they were further purified by vacuum distillation. IR spectra were measured on thin films on a previously calibrated Perkin-Elmer Model 783 IR spectrophotometer. The resolution of the IR band is about 2 cm 1 for sharp bands and slightly less for the broader bands.Raman spectra of pure samples were recorded with a Spex Raman spectrometer (Ramalog) system, fitted with an argon ion laser using 488 nm as the excitation wavelength, interfaced with a computer in the photon counting mode. The slit widths of the monochromators were adjusted to obtain reasonably good Raman spectra. The detection system used is was a R928-7 PMT from Hamamatsu Photonics, attached to the spectrometer and held in a cryostat (Spex model 1730) having a suitable resistor network. The laser power was kept at 200 mW. Polarized Raman spectra were recorded with an arrangement

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Section: Non-planar Modessupporting

confidence: 65%

Normal coordinate analyses of three isomeric acetylpyridines and acetophenone

Sett

Chattopadhyay

Mallick

2000

J. Raman Spectrosc.

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“…Numerous researchers have observed the infrared [15][16][17][18][19][20][21][22][23][24][25] and Raman [26][27][28][29][30][31][32][33][34] spectra of propanone. Its fundamental vibrational wavenumbers were derived by many investigators [35][36][37] by normal-coordinate calculations.…”

Section: Propanonementioning

confidence: 99%

Ideal gas thermodynamic properties of propanone and 2-butanone

Chao

Zwolinski

1976

Journal of Physical and Chemical Reference Data

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Ihe ideal gas thermodynamic properties (C;, So, HO-H~, (HO-H~)/T,-(C'-H~)/T, aHF, aCr, and log Kj) for propanone and 2-butanone in the temperature range from 0 to 1500 K and at 1 atm were calculated by statistical mechanical procedures, using rigid-rotor and harmonic-oscillator approximations. The internal rotation contributions to thermodynamic properties were evaluated by use of, a partition function formed by summation of internal rotation energy levels. The calculated heat capacities and entropies are in agreement with the available experimental values.

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“…Figure 12. The MCD spectra of bicyclo[2.2.2]octan-2-one ( 12) and some ß-and -methyl derivatives (16)(17)(18).…”

Section: Table VIII Relativementioning

confidence: 99%

“…The trigonometric identity sin2 e + sin2 (120°+ e) + sin2 (120°e) = 1.5 (17) shows that the fourth term in eq 16 is approximately constant (it is exactly so for tetrahedral coordination at the a carbons) and it is therefore very probably indistinguishable from ¿0. Hence we combine these terms and write eq 16 as B = K sin2 ch + K2h cos en sin2 ch H + K\c sin2 ec + K2C cos ec sin2 ec (18) c c…”

mentioning

confidence: 99%

“…The synthetic procedures used in obtaining some trans-2decalones (3-8), bicyclo[2.2.2]octan-2-ones (12)(13)(14)(15)(16)(17)(18), and cyclobutanones (64-72) are described in ref 13 and 14. All samples obtained commercially (29, 31, 42-51, Chemical Samples Co., Columbus, Ohio; 41, Frinton Laboratories, S. Vineland, N.J.) were checked for purity by analytical gas chromatography and further purified by preparative gas chromatography as required.…”

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confidence: 99%

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