CaOCD3

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17682.30 gas B-X 528 600 Wormsbecher and Suenram, 1982
Linton, Ross, et al., 2008
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CO stretch 1156 ± 5 gas LF Wormsbecher and Suenram, 1982
4 CaO stretch 476 ± 5 gas LF Wormsbecher and Suenram, 1982
e 8 CaOC bend 166 ± 5 gas LF Wormsbecher and Suenram, 1982

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 15915.19 gas A-X 584 630 Wormsbecher and Suenram, 1982
Crozet, Ross, et al., 2005
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CO stretch 1156 ± 5 gas LF Wormsbecher and Suenram, 1982
4 CaO stretch 481.62 gas LF Wormsbecher and Suenram, 1982
Crozet, Ross, et al., 2005
e 8 CaOC bend 140 ± 5 gas LF Wormsbecher and Suenram, 1982

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 4 CaO stretch 467 ± 5 gas LF Wormsbecher and Suenram, 1982
e 8 CaOC bend 142 ± 5 gas LF Wormsbecher and Suenram, 1982

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Wormsbecher and Suenram, 1982
Wormsbecher, R.F.; Suenram, R.D., Laser spectroscopy and chemiluminescence from the monomethoxides of Ca, Sr, and Ba, J. Mol. Spectrosc., 1982, 95, 2, 391, https://doi.org/10.1016/0022-2852(82)90138-2 . [all data]

Linton, Ross, et al., 2008
Linton, C.; Ross, A.J.; Adam, A.G.; Crozet, P.; Downie, L.E.; Granger, A.D.; Hopkins, W.S., Isotopic study of the transition of calcium monomethoxide using laser excitation and population depletion spectroscopy, J. Mol. Spectrosc., 2008, 250, 2, 98, https://doi.org/10.1016/j.jms.2008.05.002 . [all data]

Crozet, Ross, et al., 2005
Crozet, P.; Ross, A.J.; Linton, C.; Adam, A.G.; Hopkins, W.S.; Le Roy, R.J., Geometry of the CaOCH3 radical from isotope effects in the transition, J. Mol. Spectrosc., 2005, 229, 2, 224, https://doi.org/10.1016/j.jms.2004.09.006 . [all data]

Notes

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