Difluoromethylene cation

Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
S°gas,1 bar246.77J/mol*KReviewChase, 1998Data last reviewed in December, 1970

Vibrational and/or electronic energy levels

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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:   F
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx gas Dyke, Golob, et al., 1974

State:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 87000 ± 1000 gas Dyke, Golob, et al., 1974

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 75920 ± 160 gas Dyke, Golob, et al., 1974

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 62800 ± 1000 gas Dyke, Golob, et al., 1974

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 48200 ± 1000 gas Dyke, Golob, et al., 1974

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 40180 ± 240 gas Dyke, Golob, et al., 1974

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 Bend 650 ± 40 gas PE Dyke, Golob, et al., 1974
b2 3 Asym. stretch 1588 T Ar IR Andrews and Keelan, 1979

Additional references: Jacox, 1994, page 91; Hrovat and Borden, 1985

Notes

TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Dyke, Golob, et al., 1974
Dyke, J.M.; Golob, L.; Jonathan, N.; Morris, A.; Okuda, M., J. Chem. Soc., 1974, Faraday Trans. 2 70, 1828. [all data]

Andrews and Keelan, 1979
Andrews, L.; Keelan, B.W., Infrared spectra, structure, and bonding in the dihalocarbene cations in solid argon, J. Am. Chem. Soc., 1979, 101, 13, 3500, https://doi.org/10.1021/ja00507a014 . [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]

Hrovat and Borden, 1985
Hrovat, D.A.; Borden, W.T., Ab initio calculations on the lowest .pi. state of difluorocarbene radical cation, J. Am. Chem. Soc., 1985, 107, 26, 8034, https://doi.org/10.1021/ja00312a039 . [all data]

Notes

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