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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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(CAS Reg. No. 32180-91-9 • 4294967295) + = CAS Reg. No. 32180-91-9
By formula: (CAS Reg. No. 32180-91-9 • 4294967295CHCl) + CHCl = CAS Reg. No. 32180-91-9
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.5 ± 3.0 | kcal/mol | N/A | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
ΔrH° | 37.0 ± 2.7 | kcal/mol | CIDT | Poutsma, Paulino, et al., 1997 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, 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, Reaction thermochemistry data, 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.
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [all data]
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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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