Chloromethylene
- Formula: CHCl
- Molecular weight: 48.472
- IUPAC Standard InChIKey: LKYXEULZVGJVTG-UHFFFAOYSA-N
- CAS Registry Number: 2108-20-5
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, References, Notes
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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 12280.411 ± 0.002 | gas | A-X | 470 | 900 | Merer and Travis, 1966 | ||
Qiu, Zhou, et al., 1987 | |||||||
Xu, Beran, et al., 1994 | |||||||
Chang and Sears, 1995 | |||||||
Chang and Sears, 1995, 2 | |||||||
Chen, Tsai, et al., 2001 | |||||||
Fan, Ionescu, et al., 2004 | |||||||
Lin, Chen, et al., 2004 | |||||||
Wang, Bird, et al., 2006 | |||||||
Tao, Mukarakate, et al., 2006 | |||||||
To | Ar | A-X | 570 | 750 | Jacox and Milligan, 1967 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CH stretch | 2980 | T | gas | LF | Tao, Mukarakate, et al., 2006 |
2 | Bend | 873.0 | gas | AB | Merer and Travis, 1966 Chang and Sears, 1995, 2 | ||
2 | Bend | 855 ± 50 | Ar | AB | Jacox and Milligan, 1967 | ||
3 | CCl stretch | 926.17 | gas | AB | Wang, Bird, et al., 2006 | ||
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 2163.28 ± 0.05 | gas | Lin, Chen, et al., 2004 | |||||
Tao, Mukarakate, et al., 2006 | |||||||
Tao, Mukarakate, et al., 2008 | |||||||
Tao, Mukarakate, et al., 2008, 2 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CH stretch | 3082.99 ± 0.23 | gas | LF SEP | Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008, 2 | |
2 | Bend | 964.0 | gas | LF SEP | Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008 Tao, Mukarakate, et al., 2008, 2 | ||
3 | CCl stretch | 886.2 | gas | LF SEP | Murray, Leopold, et al., 1988 Gilles, Ervin, et al., 1992 Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008 Tao, Mukarakate, et al., 2008, 2 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CH stretch | 2795.3 ± 0.3 | gas | LF SEP | Lin, Chen, et al., 2004 Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008, 2 | |
2 | Bend | 1195.5 | gas | LF SEP | Chen, Tsai, et al., 2001 Lin, Chen, et al., 2004 Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008, 2 | ||
2 | Bend | 1201 | w m | Ar | IR | Jacox and Milligan, 1967 Fridgen, Zhang, et al., 2000 | |
2 | Bend | 1201 | Kr | IR | Fridgen, Zhang, et al., 2000 | ||
3 | CCl stretch | 811.60 | gas | DL SEP | Chang, Fei, et al., 1997 Chen, Tsai, et al., 2001 Lin, Chen, et al., 2004 Tao, Mukarakate, et al., 2006 Tao, Mukarakate, et al., 2008, 2 | ||
3 | CCl stretch | 815 | s | Ar | IR | Jacox and Milligan, 1967 Fridgen, Zhang, et al., 2000 | |
3 | CCl stretch | 817 | Kr | IR | Fridgen, Zhang, et al., 2000 | ||
Additional references: Jacox, 1994, page 42; Jacox, 1998, page 149; Jacox, 2003, page 37; Kakimoto, Saito, et al., 1983; Yamamoto, Habara, et al., 2001; Lee, Liu, et al., 2002; Lin, Kobayashi, et al., 2002; Tao, Mukarakate, et al., 2007
Notes
w | Weak |
m | Medium |
s | Strong |
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.
Merer and Travis, 1966
Merer, A.J.; Travis, D.N.,
ABSORPTION SPECTRA OF HCCl AND DCCl,
Can. J. Phys., 1966, 44, 3, 525, https://doi.org/10.1139/p66-047
. [all data]
Qiu, Zhou, et al., 1987
Qiu, Y.; Zhou, S.; Shi, J.,
Laser-induced fluorescence of HCF and HCCl,
Chem. Phys. Lett., 1987, 136, 1, 93, https://doi.org/10.1016/0009-2614(87)87304-9
. [all data]
Xu, Beran, et al., 1994
Xu, S.; Beran, K.A.; Harmony, M.D.,
Production of Halomethylenes in Free-Jet Expansions from a Hot Nozzle: Identification and Characterization of HCBr and DCBr by Laser-Induced Fluorescence Excitation Spectroscopy,
J. Phys. Chem., 1994, 98, 11, 2742, https://doi.org/10.1021/j100062a008
. [all data]
Chang and Sears, 1995
Chang, B.-C.; Sears, T.J.,
Frequency-modulation transient absorption spectrum of the HCCl A[sup 1]A´´(0,0,0)←X[sup 1]A´(0,0,0) transition,
J. Chem. Phys., 1995, 102, 16, 6347, https://doi.org/10.1063/1.1703016
. [all data]
Chang and Sears, 1995, 2
Chang, B.-C.; Sears, T.J.,
Rotationally Resolved Near-Infrared Spectrum of the HCCI Ã1A´´ ← X1A´ Transition,
J. Mol. Spectrosc., 1995, 173, 2, 391, https://doi.org/10.1006/jmsp.1995.1243
. [all data]
Chen, Tsai, et al., 2001
Chen, C.-W.; Tsai, T.-C.; Chang, B.-C.,
Dispersed fluorescence spectrum of the vibronic transition,
Chem. Phys. Lett., 2001, 347, 1-3, 73, https://doi.org/10.1016/S0009-2614(01)01011-9
. [all data]
Fan, Ionescu, et al., 2004
Fan, H.; Ionescu, I.; Annesley, C.; Cummins, J.; Bowers, M.; Reid, S.A.,
Fluorescence excitation spectroscopy of the system of jet-cooled HCCl in the region 5150--6050Å,
J. Mol. Spectrosc., 2004, 225, 1, 43, https://doi.org/10.1016/j.jms.2004.02.013
. [all data]
Lin, Chen, et al., 2004
Lin, C.-S.; Chen, Y.-E.; Chang, B.-C.,
New electronic spectra of the HCCl and DCCl A-X vibronic bands,
J. Chem. Phys., 2004, 121, 9, 4164, https://doi.org/10.1063/1.1779572
. [all data]
Wang, Bird, et al., 2006
Wang, Z.; Bird, R.G.; Yu, H.-G.; Sears, T.J.,
Hot bands in jet-cooled and ambient temperature spectra of chloromethylene,
J. Chem. Phys., 2006, 124, 7, 074314, https://doi.org/10.1063/1.2172238
. [all data]
Tao, Mukarakate, et al., 2006
Tao, C.; Mukarakate, C.; Reid, S.A.,
Fluorescence excitation and single vibronic level emission spectroscopy of the A [sup 1]A[sup ´´]←X [sup 1]A[sup ´] system of CHCl,
J. Chem. Phys., 2006, 124, 22, 224314, https://doi.org/10.1063/1.2204916
. [all data]
Jacox and Milligan, 1967
Jacox, M.E.; Milligan, D.E.,
Matrix-Isolation Study of the Reaction of Carbon Atoms with HCl. The Infrared Spectrum of the Free Radical HCCl,
J. Chem. Phys., 1967, 47, 5, 1626, https://doi.org/10.1063/1.1712143
. [all data]
Tao, Mukarakate, et al., 2008
Tao, C.; Mukarakate, C.; Judge, R.H.; Reid, S.A.,
High resolution probe of spin-orbit coupling and the singlet-triplet gap in chlorocarbene,
J. Chem. Phys., 2008, 128, 17, 171101, https://doi.org/10.1063/1.2918727
. [all data]
Tao, Mukarakate, et al., 2008, 2
Tao, C.; Mukarakate, C.; Terranova, Z.; Ebben, C.; Judge, R.H.; Reid, S.A.,
High resolution study of spin-orbit mixing and the singlet-triplet gap in chlorocarbene: Stimulated emission pumping spectroscopy of CH[sup 35]Cl and CD[sup 35]Cl,
J. Chem. Phys., 2008, 129, 10, 104309, https://doi.org/10.1063/1.2977686
. [all data]
Murray, Leopold, et al., 1988
Murray, K.K.; Leopold, D.G.; Miller, T.M.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Halocarbene Anions HCF-, HCCl-, HCBr-, HCI-, CF2-, and CCl2-,
J. Chem. Phys., 1988, 89, 9, 5442, https://doi.org/10.1063/1.455596
. [all data]
Gilles, Ervin, et al., 1992
Gilles, M.K.; Ervin, K.M.; Ho, J.; Lineberger, W.C.,
Negative Ion Photoelectron Spectroscopy of HCF-, HCCl-, HCBr-, and HCI- - Photoelectron Angular Distributions and Neutral Triplet Excitation,
J. Phys. Chem., 1992, 96, 3, 1130, https://doi.org/10.1021/j100182a021
. [all data]
Fridgen, Zhang, et al., 2000
Fridgen, T.D.; Zhang, X.K.; Parnis, J.M.; March, R.E.,
Isomerization and Fragmentation Products of CH,
J. Phys. Chem. A, 2000, 104, 16, 3487, https://doi.org/10.1021/jp993162u
. [all data]
Chang, Fei, et al., 1997
Chang, B.-C.; Fei, R.; Sears, T.J.,
Mid-Infrared Diode Laser Spectroscopy of1A´ HC35Cl,
J. Mol. Spectrosc., 1997, 183, 2, 341, https://doi.org/10.1006/jmsp.1997.7291
. [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]
Kakimoto, Saito, et al., 1983
Kakimoto, M.; Saito, S.; Hirota, E.,
Doppler-limited dye laser excitation spectroscopy of HCCl,
J. Mol. Spectrosc., 1983, 97, 1, 194, https://doi.org/10.1016/0022-2852(83)90345-4
. [all data]
Yamamoto, Habara, et al., 2001
Yamamoto, S.; Habara, H.; Kim, E.; Nagasaka, H.,
J. Cnem. Phys., 2001, 115, 6007. [all data]
Lee, Liu, et al., 2002
Lee, C.-L.; Liu, M.-L.; Chang, B.-C.,
Experimental study of the DCCl X[sup 1]A[sup ´] state vibrational structure by dispersed fluorescence spectroscopy,
J. Chem. Phys., 2002, 117, 7, 3263, https://doi.org/10.1063/1.1485768
. [all data]
Lin, Kobayashi, et al., 2002
Lin, A.; Kobayashi, K.; Yu, H.-G.; Hall, G.E.; Muckerman, J.T.; Sears, T.J.; Merer, A.J.,
Axis-Switching and Coriolis Coupling in the Ã(010)--X(000) Transitions of DCCl and HCCl,
J. Mol. Spectrosc., 2002, 214, 2, 216, https://doi.org/10.1006/jmsp.2002.8594
. [all data]
Tao, Mukarakate, et al., 2007
Tao, C.; Mukarakate, C.; Reid, S.A.,
Electronic spectroscopy of the system of CDCl,
J. Mol. Spectrosc., 2007, 241, 2, 143, https://doi.org/10.1016/j.jms.2006.12.001
. [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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