Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Thiirane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Vibrational and/or electronic energy levels

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 CH stretch 3207 w Ar IR Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
1 CH stretch 3202 N2 IR Krantz and Laureni, 1981
2 C=C stretch 1663 w Ar IR Laureni, Krantz, et al., 1976
Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
2 C=C stretch 1660 N2 IR Krantz and Laureni, 1981
4 C-S stretch 657 m T Ar IR Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
Hawkins, Almond, et al., 1985
b1 6 OPLA 563 m Ar IR Laureni, Krantz, et al., 1976
Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
Hawkins, Almond, et al., 1985
6 OPLA 570 N2 IR Krantz and Laureni, 1981
b2 7 CH stretch 3169 m Ar IR Laureni, Krantz, et al., 1976
Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
7 CH stretch 3166 m Ar IR Laureni, Krantz, et al., 1976
Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
7 CH stretch 3161 N2 IR Krantz and Laureni, 1981
8 CH deform. 912 m Ar IR Laureni, Krantz, et al., 1976
Krantz and Laureni, 1977
Torres, Clement, et al., 1978
Torres, Safarik, et al., 1979
Hawkins, Almond, et al., 1985
8 CH deform. 910 N2 IR Krantz and Laureni, 1981

Additional references: Jacox, 1994, page 256; Krantz and Laureni, 1979; Allen, Bertie, et al., 1986

Notes

wWeak
mMedium
TTentative assignment or approximate value

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Krantz and Laureni, 1977
Krantz, A.; Laureni, J., A methodology for the preparation and characterization of three-membered, potentially antiaromatic molecules. Preparation of matrix-isolated thiirene and selenirene, J. Am. Chem. Soc., 1977, 99, 14, 4842, https://doi.org/10.1021/ja00456a060 . [all data]

Torres, Clement, et al., 1978
Torres, M.; Clement, A.; Bertie, J.E.; Gunning, H.E.; Strausz, O.P., Low-temperature matrix isolation of thiirenes, J. Org. Chem., 1978, 43, 12, 2490, https://doi.org/10.1021/jo00406a045 . [all data]

Torres, Safarik, et al., 1979
Torres, M.; Safarik, I.; Clement, A.; Bertie, J.E.; Strausz, O.P., Nouv. J. Chim., 1979, 3, 365. [all data]

Krantz and Laureni, 1981
Krantz, A.; Laureni, J., Characterization of matrix-isolated antiaromatic three-membered heterocycles. Preparation of the elusive thiirene molecule, J. Am. Chem. Soc., 1981, 103, 3, 486, https://doi.org/10.1021/ja00393a002 . [all data]

Laureni, Krantz, et al., 1976
Laureni, J.; Krantz, A.; Hajdu, R.A., Photolysis of isotopically labeled 1,2,3-selenadiazole and 1,2,3-thiadiazole, J. Am. Chem. Soc., 1976, 98, 24, 7872, https://doi.org/10.1021/ja00440a095 . [all data]

Hawkins, Almond, et al., 1985
Hawkins, M.; Almond, M.J.; Downs, A.J., Photochemistry of low-temperature matrixes containing carbonyl sulfide: reactions of sulfur atoms with the phosphorus trihalides phosphorus trifluoride (PF3) and phosphorus trichloride (PCl3) and the hydrocarbons methane, ethene, and ethyne, J. Phys. Chem., 1985, 89, 15, 3326, https://doi.org/10.1021/j100261a034 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Krantz and Laureni, 1979
Krantz, A.; Laureni, J., The spectrum of matrix-isolated thiirene and characterization of new matrix-isolated species. Comment, J. Org. Chem., 1979, 44, 15, 2730, https://doi.org/10.1021/jo01329a028 . [all data]

Allen, Bertie, et al., 1986
Allen, W.D.; Bertie, J.E.; Falk, M.V.; Hess, B.A., Jr.; Mast, G.B.; Othen, D.A.; Schaad, L.J.; Schaefer, H.F., III, The experimental vibrational spectra, vibrational assignment, and normal coordinate analysis of thiirane-h4 and -d4 and cis- and trans-1,2-dideuteriothiirane: Ab initio theoretical IR spectra of thiirane, thiirene, and isotopically substituted derivatives, J. Chem. Phys., 1986, 84, 8, 4211, https://doi.org/10.1063/1.450043 . [all data]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References