C4-

Formula: C₄^-
Molecular weight: 48.0433
CAS Registry Number: 59158-53-1
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Reaction thermochemistry data

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Individual Reactions

(C₄^- • 4294967295) + = C₄^-

By formula: (C₄^- • 4294967295C) + C = C₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	676. ± 15.	kJ/mol	N/A	Arnold, Bradforth, et al., 1991	gas phase; Linear structure for both anion and neutral. Bound state 37.063 kcal/mol up: Zhao, de Beer, et al., 1996

Ion clustering data

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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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(C₄^- • 4294967295) + = C₄^-

By formula: (C₄^- • 4294967295C) + C = C₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	676. ± 15.	kJ/mol	N/A	Arnold, Bradforth, et al., 1991	gas phase; Linear structure for both anion and neutral. Bound state 37.063 kcal/mol up: Zhao, de Beer, et al., 1996

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	References


T_d = 31320 ± 80	gas	Yang, Taylor, et al., 1988
		Arnold, Bradforth, et al., 1991
		Xu, Burton, et al., 1997

State: (3) ²Π_u

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 28717	gas	(3) ²Π_u-X	336	348	Tulej, Kirkwood, et al., 1998
T_o = 28868	Ne		335	347	Freivogel, Grutter, et al., 1997

State: (2) ²Π_u

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 25989	gas	(2) ²Π_u-X	372	384	Tulej, Kirkwood, et al., 1998
T_o = 26069 ± 14	Ne		372	384	Freivogel, Grutter, et al., 1997

Vib. sym.	No.	cm^-1		Med.	Method	References


Σ_g⁺	1	2056		gas	MPD	Tulej, Kirkwood, et al., 1998
	2	710		gas	MPD	Tulej, Kirkwood, et al., 1998
	2	755 ± 20		Ne	AB	Freivogel, Grutter, et al., 1997
Π_g	4	374	H	gas	MPD	Tulej, Kirkwood, et al., 1998
	4	349 ± 10	H	Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	5	268	H	gas	MPD	Tulej, Kirkwood, et al., 1998
	5	271 ± 10	H	Ne	AB	Freivogel, Grutter, et al., 1997

State: C

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 21871.53	gas	C-X	379	460	Zhao, de Beer, et al., 1996, 2
					Tulej, Kirkwood, et al., 1998
T_o = 21896 ± 5	Ne	C-X	410	527	Freivogel, Fulara, et al., 1995
					Schafer, Grutter, et al., 1996
T_o = 21720	Ar	C-X	416	461	Grutter, Freivogel, et al., 1997

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


Σ_g⁺	1		1729	H	gas	MPD	Tulej, Kirkwood, et al., 1998
	1		1801		Ne	AB	Fulara, Freivogel, et al., 2007
	2		752.4		gas	PD	Zhao, de Beer, et al., 1996, 2
	2		759 ± 5		Ne	AB	Freivogel, Fulara, et al., 1995
	2		763		Ar	AB	Grutter, Freivogel, et al., 1997
Π_u	5	Deformation	223	H	gas	PD	Zhao, de Beer, et al., 1996, 2
	5	Deformation	242	H	Ne	AB	Fulara, Freivogel, et al., 2007

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 10789 ± 2	Ne	B-X	672	927	Freivogel, Grutter, et al., 1997

Vib. sym.	No.	cm^-1		Med.	Method	References


Σ_g⁺	1	2056 ± 5		Ne	AB	Freivogel, Grutter, et al., 1997
	2	930 ± 4		Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	5	259 ± 2	H	Ne	AB	Freivogel, Grutter, et al., 1997

State: A

Med.	Transition	λ_min (nm)	λ_max (nm)	References


Ne	A-X	907	1206	Freivogel, Grutter, et al., 1997

Vib. sym.	No.	cm^-1	Med.	Method	References


Σ_g⁺	2	817 ± 3	Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	5	275 ± 2	Ne	AB	Freivogel, Grutter, et al., 1997

State: X

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


Σ_g⁺	1		2047 ± 20		Ne	LF	Schafer, Grutter, et al., 1996
	2		936 ± 20		Ne	LF	Schafer, Grutter, et al., 1996
Σ_u⁺	3	Asym. stretch	1699.8		Ar	IR	Szczepanski, Vala, et al., 1997
Π_g	4	Deformation	396 ± 20	H	Ne	LF	Schafer, Grutter, et al., 1996

Additional references: Jacox, 1994, page 183; Jacox, 1998, page 246; Jacox, 2003, page 217

Notes

(1/2)(2ν)

Energy separation between the v = 0 levels of the excited and electronic ground states.

Photodissociation threshold

References

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Arnold, Bradforth, et al., 1991
Arnold, D.W.; Bradforth, S.E.; Kitsopoulos, T.N.; Neumark, D.M., Vibrationally Resolved Spectra of C2-C11 by Anion Photoelectron Spectroscopy, J. Chem. Phys., 1991, 95, 12, 8753, https://doi.org/10.1063/1.461211 . [all data]

Zhao, de Beer, et al., 1996
Zhao, Y.; de Beer, E.; Xu, C.; Taylor, T.; Neumark, D.M., Spectroscopy and Electron Detachment Dynamics of C4-, C6- and C8-, J. Chem. Phys., 1996, 105, 12, 4905, https://doi.org/10.1063/1.472341 . [all data]

Yang, Taylor, et al., 1988
Yang, S.; Taylor, K.J.; Craycraft, M.J.; Conceicao, J.; Pettiette, C.L.; Cheshnovsky, O.; Smalley, R.E., UPS of 2--30-atom carbon clusters: Chains and rings, Chem. Phys. Lett., 1988, 144, 5-6, 431, https://doi.org/10.1016/0009-2614(88)87291-9 . [all data]

Xu, Burton, et al., 1997
Xu, C.; Burton, G.R.; Taylor, T.R.; Neumark, D.M., Photoelectron spectroscopy of C[sub 4][sup -], C[sub 6][sup -], and C[sub 8][sup -], J. Chem. Phys., 1997, 107, 9, 3428, https://doi.org/10.1063/1.474715 . [all data]

Tulej, Kirkwood, et al., 1998
Tulej, M.; Kirkwood, D.A.; Maccaferri, G.; Dopfer, O.; Maier, J.P., Electronic spectra of linear carbon anions, Chem. Phys., 1998, 228, 1-3, 293, https://doi.org/10.1016/S0301-0104(97)00358-3 . [all data]

Freivogel, Grutter, et al., 1997
Freivogel, P.; Grutter, M.; Forney, D.; Maier, J.P., Electronic absorption spectra of C[sub 4][sup -] and C[sub 6][sup -] chains in neon matrices, J. Chem. Phys., 1997, 107, 1, 22, https://doi.org/10.1063/1.474369 . [all data]

Zhao, de Beer, et al., 1996, 2
Zhao, Y.; de Beer, E.; Neumark, D.M., Rotationally resolved spectrum of the C 2Πu←X 2Πg electronic transition of C-4 via resonant two-photon detachment spectroscopy, J. Chem. Phys., 1996, 105, 7, 2575, https://doi.org/10.1063/1.472123 . [all data]

Freivogel, Fulara, et al., 1995
Freivogel, P.; Fulara, J.; Jakobi, M.; Forney, D.; Maier, J.P., Electronic absorption spectra of linear carbon chains in neon matrices. II. C-2n, C2n, and C2nH, J. Chem. Phys., 1995, 103, 1, 54, https://doi.org/10.1063/1.469621 . [all data]

Schafer, Grutter, et al., 1996
Schafer, M.; Grutter, M.; Fulara, J.; Forney, D.; Freivogel, P.; Maier, J.P., Emission spectrum of mass-selected C4-:C2Πu → X2Πg in a neon matrix, Chem. Phys. Lett., 1996, 260, 3-4, 406, https://doi.org/10.1016/0009-2614(96)00882-2 . [all data]

Grutter, Freivogel, et al., 1997
Grutter, M.; Freivogel, P.; Forney, D.; Maier, J.P., Diffusion of mass-selected carbon atoms and molecules in argon and neon matrices, J. Chem. Phys., 1997, 107, 14, 5356, https://doi.org/10.1063/1.474245 . [all data]

Fulara, Freivogel, et al., 2007
Fulara, J.; Freivogel, P.; Maier, J.P., Electronic Transitions of CsC, J. Phys. Chem. A, 2007, 111, 31, 7551, https://doi.org/10.1021/jp070356y . [all data]

Szczepanski, Vala, et al., 1997
Szczepanski, J.; Vala, M.; Shen, L.N.; Withey, P.A.; Graham, W.R., Infrared Spectroscopy of the C, J. Phys. Chem. A, 1997, 101, 47, 8788, https://doi.org/10.1021/jp971884k . [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]

Notes

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Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C4-

Reaction thermochemistry data

Individual Reactions

Ion clustering data

Clustering reactions

Vibrational and/or electronic energy levels

State: ?

State: (3) 2Πu

State: (2) 2Πu

State: C

State: B

State: A

State: X

Notes

References

Notes

State: (3) ²Π_u

State: (2) ²Π_u