CaOCH3
- Formula: CH3CaO
- Molecular weight: 71.112
- CAS Registry Number: 87330-90-3
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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 = 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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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
T | Tentative assignment or approximate value |
o | Energy 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
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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