CaCCH

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 21900 T gas C-X 440 452 Elhanine, Lawruszczuk, et al., 1998
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ HCC deform. 573 ± 5 gas LF Elhanine, Lawruszczuk, et al., 1998
CaC stretch 394 ± 5 gas LF Elhanine, Lawruszczuk, et al., 1998
CaCC deform. 99 ± 5 gas LF Elhanine, Lawruszczuk, et al., 1998

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 16600 T gas Li and Coxon, 1996
Tokaryk, Adam, et al., 2007

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 15525.393 gas A-X 640 665 Bopegedera, Brazier, et al., 1987
Bopegedera, Brazier, et al., 1988
Whitham, Soep, et al., 1990
Li and Coxon, 1996
Li and Coxon, 1996, 2
Li and Coxon, 1997
Li and Coxon, 1997, 2
Li and Coxon, 1999
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Π 5 CaCC bend 101.39 gas LF Li and Coxon, 1996, 2

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 3 CaC stretch 397.40 gas LF Bopegedera, Brazier, et al., 1987
Li and Coxon, 1997, 2
Π 5 CaCC bend 102.94 gas LF Li and Coxon, 1996, 2

Additional references: Jacox, 1994, page 155; Jacox, 1998, page 231; Jacox, 2003, page 181; Anderson and Ziurys, 1995; Faridian, Tokaryk, et al., 2010

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Elhanine, Lawruszczuk, et al., 1998
Elhanine, M.; Lawruszczuk, R.; Soep, B., Laser spectroscopy of metallic free radicals: the observation of the C--X vibronically allowed electronic transition for Ca--OCH3, Ca--OC2H5 and Ca--CCH, Chem. Phys. Lett., 1998, 288, 5-6, 785, https://doi.org/10.1016/S0009-2614(98)00352-2 . [all data]

Li and Coxon, 1996
Li, M.; Coxon, J.A., Laser Spectroscopy of theÃ2Π--X2Σ+0--0 Band of the CaCCH Radical, J. Mol. Spectrosc., 1996, 176, 1, 206, https://doi.org/10.1006/jmsp.1996.0077 . [all data]

Tokaryk, Adam, et al., 2007
Tokaryk, D.W.; Adam, A.G.; Slaney, M.E., Cavity ring down laser spectroscopy of the transition of CaCCH, Chem. Phys. Lett., 2007, 433, 4-6, 264, https://doi.org/10.1016/j.cplett.2006.11.053 . [all data]

Bopegedera, Brazier, et al., 1987
Bopegedera, A.M.R.P.; Brazier, C.R.; Bernath, P.F., Laser spectroscopy of calcium and strontium monoacetylides, Chem. Phys. Lett., 1987, 136, 1, 97, https://doi.org/10.1016/0009-2614(87)87305-0 . [all data]

Bopegedera, Brazier, et al., 1988
Bopegedera, A.M.R.P.; Brazier, C.R.; Bernath, P.F., Rotational analysis of the transition of calcium monoacetylide, CaCCH, J. Mol. Spectrosc., 1988, 129, 2, 268, https://doi.org/10.1016/0022-2852(88)90033-1 . [all data]

Whitham, Soep, et al., 1990
Whitham, C.J.; Soep, B.; Visticot, J.-P.; Keller, A., Observation and spectroscopy of metallic free radicals produced by reactive collisions during a supersonic expansion, J. Chem. Phys., 1990, 93, 2, 991, https://doi.org/10.1063/1.459126 . [all data]

Li and Coxon, 1996, 2
Li, M.; Coxon, J.A., The First Excited Ca--C--C Bending Vibration Levels in theÃ2Π andX2Σ+States of the CaCCH Radical: The Renner--Teller Effect andK-type Resonance, J. Mol. Spectrosc., 1996, 180, 2, 287, https://doi.org/10.1006/jmsp.1996.0251 . [all data]

Li and Coxon, 1997
Li, M.; Coxon, J.A., The CaCCHÃ2Π--2Σ+522and 520Bands Studied by High Resolution Spectroscopy: The Ca--C--C Bending Vibration and Vibronic Interaction, J. Mol. Spectrosc., 1997, 183, 2, 250, https://doi.org/10.1006/jmsp.1996.7255 . [all data]

Li and Coxon, 1997, 2
Li, M.; Coxon, J.A., The ν3and ν3+ ν5Vibration Levels in the CaCCHX2Σ+State, J. Mol. Spectrosc., 1997, 184, 2, 395, https://doi.org/10.1006/jmsp.1997.7333 . [all data]

Li and Coxon, 1999
Li, M.; Coxon, J.A., The C--C--H Bending Vibration Mode (ν4) in the Electronic Ã2Π and X2Σ+ States of the CaCCH Radical, J. Mol. Spectrosc., 1999, 196, 1, 14, https://doi.org/10.1006/jmsp.1999.7846 . [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]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Anderson and Ziurys, 1995
Anderson, M.A.; Ziurys, L.M., The millimeter/submillimeter rotational spectrum of CaCCH(X[SUP]2[/SUP]Sigma(+)), Astrophys. J., 1995, 444, L57, https://doi.org/10.1086/187859 . [all data]

Faridian, Tokaryk, et al., 2010
Faridian, A.; Tokaryk, D.W.; Adam, A.G., Laser spectroscopy of the and transitions of CaCCD, J. Mol. Spectrosc., 2010, 264, 2, 125, https://doi.org/10.1016/j.jms.2010.10.001 . [all data]

Notes

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