Dichloromethylene

• Formula: CCl₂
• Molecular weight: 82.917
• IUPAC Standard InChI: InChI=1S/CCl2/c2-1-3 Copy

  
• IUPAC Standard InChIKey: PFBUKDPBVNJDEW-UHFFFAOYSA-N Copy
• CAS Registry Number: 1605-72-7
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase ion energetics data

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to CCl₂⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wren, Vogelhuber, et al., 2009
Wren, S.W.; Vogelhuber, K.M.; Ervin, K.M.; Lineberger, W.C., The photoelectron spectrum of CCl2-: the convergence of theory and experiment after a decade of debate, Phys. Chem. Chem. Phys., 2009, 11, 23, 4745-4753, https://doi.org/10.1039/b822690c . [all data]

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]

Schwartz, Davico, et al., 1999
Schwartz, R.L.; Davico, G.E.; Ramond, T.M.; Lineberger, W.C., Singlet-triplet splittings in CX2 (X = F, Cl, Br, I) dihalocarbenes via negative ion photoelectron spectroscopy, J. Phys. Chem. A, 1999, 103, 41, 8213-8221, https://doi.org/10.1021/jp992214c . [all data]

Barden and Schaeffer, 2000
Barden, C.J.; Schaeffer, H.F., III, The Singlet-Triplet Energy Separation in Dichlorocarbene: a Surprising Difference Between Theory and Experiment, J. Chem. Phys., 2000, 112, 15, 6515-6516, https://doi.org/10.1063/1.481601 . [all data]

Dyke, Lee, et al., 2005
Dyke, J.M.; Lee, E.P.F.; Mok, D.K.W.; Chau, F.T., A combined ab initio/Franck-Condon study of the A-X single-vibronic-level emission spectrum of CCl2 and the photodetachment spectrum of CCl2-, ChemPhysChem, 2005, 6, 10, 2046-2059, https://doi.org/10.1002/cphc.200500194 . [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]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Scheunemann, Illenberger, et al., 1980
Scheunemann, H.U.; Illenberger, E.; Baumgartel, H., Dissociative electron attachment to CCl₄, CHCl₃, CH₂Cl₂, and CH₃Cl, Ber. Bunsen-Ges. Phys. Chem., 1980, 84, 580. [all data]

Kohn, Robles, et al., 1993
Kohn, D.W.; Robles, E.S.J.; Logan, C.F.; Chen, P., Photoelectron spectrum, ionization potential, and heat of formation of CCl₂, J. Phys. Chem., 1993, 97, 4936. [all data]

Shapiro and Lossing, 1968
Shapiro, J.S.; Lossing, F.P., Free radicals by mass spectrometry. XXXVII. The ionization potential and heat of formation of dichlorocarbene, J. Phys. Chem., 1968, 72, 1552. [all data]

Blanchard and LeGoff, 1957
Blanchard, L.P.; LeGoff, P., Mass spectrometric study of the species CS, SO, and CCl₂ produced in primary heterogeneous reactions, Can. J. Chem., 1957, 35, 89. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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