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CaOCH3


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 21750 T gas C-X 446 462 Elhanine, Lawruszczuk, et al., 1998


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

a1 CaO stretch 440 ± 5 gas LF Elhanine, Lawruszczuk, et al., 1998
Skel. deform. 150 ± 5 gas LF Elhanine, Lawruszczuk, et al., 1998

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 17682.431 gas B-X 525 590 Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
Namiki, Robinson, et al., 1998
Whitham, Beaton, et al., 1998
Linton, Ross, et al., 2008


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

a1 3 CO stretch 1150 ± 5 gas LF Wormsbecher and Suenram, 1982
4 CaO stretch 491 ± 5 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
e 8 CaOC bend 168 ± 5 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 15925.05 gas A-X 605 635 Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
Crozet, Martin, et al., 2002
Crozet, Ross, et al., 2005


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

a1 3 CO stretch 1140 ± 5 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
4 CaO stretch 501.48 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
Crozet, Ross, et al., 2005
e 8 CaOC bend 145 ± 5 gas LF Wormsbecher and Suenram, 1982

State:   X


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

a1 3 CO stretch 1156 ± 5 gas LF Brazier, Ellingboe, et al., 1986
4 CaO stretch 488 ± 5 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986
e 8 CaOC bend 144 ± 5 gas LF Wormsbecher and Suenram, 1982
Brazier, Ellingboe, et al., 1986

Additional references: Jacox, 1994, page 314; Jacox, 2003, page 315

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]

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]

Brazier, Ellingboe, et al., 1986
Brazier, C.R.; Ellingboe, L.C.; Kinsey-Nielsen, S.; Bernath, P.F., Laser spectroscopy of alkaline earth monoalkoxide free radicals, J. Am. Chem. Soc., 1986, 108, 9, 2126, https://doi.org/10.1021/ja00269a002 . [all data]

Namiki, Robinson, et al., 1998
Namiki, K.C.; Robinson, J.S.; Steimle, T.C., A spectroscopic study of CaOCH[sub 3] using the pump/probe microwave and the molecular beam/optical Stark techniques, J. Chem. Phys., 1998, 198, 13, 5283, https://doi.org/10.1063/1.477146 . [all data]

Whitham, Beaton, et al., 1998
Whitham, C.J.; Beaton, S.A.; Ito, Y.; Brown, J.M., Laser Excitation Spectroscopy of theB2A1--X2A1Transition of the CaOCH3Radical, J. Mol. Spectrosc., 1998, 191, 2, 286, https://doi.org/10.1006/jmsp.1998.7642 . [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, Martin, et al., 2002
Crozet, P.; Martin, F.; Ross, A.J.; Linton, C.; Dick, M.J.; Adam, A.G., The A2E--X2A1 System of CaOCH3, J. Mol. Spectrosc., 2002, 213, 1, 28, https://doi.org/10.1006/jmsp.2002.8536 . [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]

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


Notes

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