Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 25,
  • Issue 2,
  • pp. 212-217
  • (1971)

Normal Coordinate Treatments and Calculated Thermodynamic Properties of Phosphoryl Fluorodichloride, Phosphoryl Chlorodifluoride, Thiophosphoryl Bromide, Thiophosphoryl Fluorodibromide, and Thiophosphoryl Bromodifluoride

Not Accessible

Your library or personal account may give you access

Abstract

The Raman and ir spectra of phosphoryl dichlorofluoride, phosphoryl difluorochloride, thiophosphoryl tribromide, thiophosphoryl dibromofluoride, and thiophosphoryl difluorobromide were collected and examined for the most probable values for the wavenumbers, intensities, and depolarization factors. The data are as follows: The Raman displacements Δσ in cm<sup>−1</sup>, the relative intensities <i>I,</i> and the depolarization factors <i>p</i> are for POFCI<sub>2</sub>: Δσ (<i>I</i>) <i>p</i> = 207(3.6)0.55, 254(1.8)6/7, 330(1)0.6, 372(3.4)6/7, 386(5.5)0.3, 547(10)0.05, 620(<i>w</i>)6/7, 894(<i>w</i>)0.45, and 1331(<i>m</i>)<i>p</i>; for POF<sub>2</sub>Cl: 274(10)0.65, 274 (calculated), 410(17)0.23, 424(7)6/7, 424 (calculated), 618(10)0.05, 895(<i>m</i>)0.1, 948(<i>w</i>)6/7, and 1358(<i>m</i>)0.2; for PSBr<sub>3</sub>: 115(5.5)6/7, 165(4.1)0.3, 179(5)6/7, 299 (10)0.05, 438(<i>w</i>)6/7, and 718(<i>m</i>)<i>p;</i> for PSFBr<sub>2</sub>: 129(7)0.6, 159.5(11)6/7, 219(10)0.5, 254(4)6/7, 274(5)0.3, 377(10)0.2, 470(<i>w</i>)6/7, 718(<i>m</i>)<i>p,</i> and 887 (<i>v w</i>)<i>p;</i> and for PSF<sub>2</sub>Br: 175(28)0.5, 231(3)6/7, 288(29)0.3, 298(<i>w</i>)6/7, 384(7)0.25, 462(<i>w</i>)0.1, 474(10)0.1, 711(9)0.1, 899(<i>w</i>)0.75, and 930(<i>w</i>)0.75. No published ir spectral data were found for POFCl<sub>2</sub>, POF<sub>2</sub>Cl, PSBr<sub>3</sub>, PSFBr<sub>2</sub>, and PSF<sub>2</sub>Br. Also normal coordinate treatments were conducted for POFCl<sub>2</sub>, POF<sub>2</sub>Cl, PSFBr<sub>2</sub>, and PSF<sub>2</sub>Br on the basis of the <i>Cs</i> model and the one for PSBr<sub>3</sub> on the basis of the <i>C</i><sub>3<i>v</i></sub> model. The results of these treatments established the above listed wavenumbers as fundamentals and lend support for 424 and 274 cm<sup>−1</sup> bands for POF<sub>2</sub>Cl as the missing Raman bands. The <i>F</i> matrix elements obtained for these molecules were determined in such a way that <i>F</i> matrix elements common to POF<sub>3</sub>, POF<sub>2</sub>Cl, POFCl<sub>2,</sub> and POCl<sub>3</sub> had nearly the same values and those common to PSF<sub>3</sub>, PSF<sub>2</sub>Br, PSFBr<sub>2</sub>, and PSBr<sub>3</sub> also had nearly the same values. Finally, the values of the thermodynamic properties for these substances were computed for the ideal gaseous state using the rigid rotator harmonic oscillator approximation at 1 atm from 200 to 1000 K.

PDF Article
More Like This
Substituted Methanes. XVII.* Vibrational Spectra, Potential Constants, and Calculated Thermodynamic Properties of Diiodomethane

Fred L. Voelz, Forrest F. Cleveland, Arnold G. Meister, and Richard B. Bernstein
J. Opt. Soc. Am. 43(11) 1061-1064 (1953)

Vibrational Spectra and Calculated Thermodynamic Properties of 1,1,1,2-Tetrachloroethane and Pentachloroethane*

J. Rud Nielsen, C. Y. Liang, and Lester W. Daasch
J. Opt. Soc. Am. 43(11) 1071-1078 (1953)

Optical Properties of Silver Bromide*†

John J. White
J. Opt. Soc. Am. 62(2) 212-218 (1972)

Cited By

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Login to access Optica Member Subscription

Select as filters


Select Topics Cancel
© Copyright 2024 | Optica Publishing Group. All Rights Reserved