C6 anion

Formula: C₆^-
Molecular weight: 72.0647
CAS Registry Number: 64886-37-9
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Other data available:
- Reaction thermochemistry data
- Ion clustering data
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	185.5 ± 5.7	kcal/mol	Acid	Arnold, Zhao, et al., 1992	There is a bound state at 47.107 kcal/mol up; Zhao, de Beer, et al., 1996

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, References, Notes

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	References


T_d = 33725 ± 10	gas	Yang, Taylor, et al., 1988
		Arnold, Bradforth, et al., 1991
		Arnold, Zhao, et al., 1992
		Xu, Burton, et al., 1997

State: F

Energy (cm^-1)		Med.	References


T_o = 33680	T	gas	Arnold, Zhao, et al., 1992

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


Σ_g⁺	1	2058 ± 5		gas	PE	Arnold, Zhao, et al., 1992
	2	1307 ± 5		gas	PE	Arnold, Zhao, et al., 1992
	3	480 ± 2		gas	PE	Arnold, Zhao, et al., 1992
Σ_u⁺	5	837	H T	gas	PE	Arnold, Zhao, et al., 1992
Π_g	7	195	H T	gas	PE	Arnold, Zhao, et al., 1992
Π_u	8	313	H T	gas	PE	Arnold, Zhao, et al., 1992
	9	93	H T	gas	PE	Arnold, Zhao, et al., 1992

State: (3) ²Π_g

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


T_o = 22517 ± 10	Ne	401	445	Freivogel, Grutter, et al., 1997

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


Σ_g⁺	2	1861 ± 17		Ne	AB	Freivogel, Grutter, et al., 1997
	3	626 ± 15		Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	9	157 ± 7	H	Ne	AB	Freivogel, Grutter, et al., 1997

State: (2) ²Π_g

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


T_o = 20064 ± 8	Ne	470	499	Freivogel, Grutter, et al., 1997

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


Σ_g⁺	3	597 ± 12		Ne	AB	Freivogel, Grutter, et al., 1997
Π_g	7	237 ± 6	H	Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	9	152 ± 6	H	Ne	AB	Freivogel, Grutter, et al., 1997

State: C

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


T_o = 16476	gas	C-X	445	629	Zhao, de Beer, et al., 1996, 2
					Tulej, Kirkwood, et al., 1998
T_o = 16458 ± 5	Ne	C-X	539	608	Forney, Fulara, et al., 1995
T_o = 16239	Ar	C-X	573	616	Szczepanski, Ekern, et al., 1997

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


Σ_g⁺	1	CC stretch	2052		gas	PD	Zhao, de Beer, et al., 1996, 2
	1	CC stretch	2064 ± 5		Ne	AB	Forney, Fulara, et al., 1995
	2	CC stretch	1767		gas	PD	Zhao, de Beer, et al., 1996, 2
	2	CC stretch	1817 ± 5		Ne	AB	Forney, Fulara, et al., 1995
	3	C-C stretch	605		gas	PD	Zhao, de Beer, et al., 1996, 2 Tulej, Kirkwood, et al., 1998
	3	C-C stretch	607 ± 5		Ne	AB	Forney, Fulara, et al., 1995
	3	C-C stretch	605	T	Ar	AB	Szczepanski, Ekern, et al., 1997
Π_g	8		245	H	gas	PD	Zhao, de Beer, et al., 1996, 2
Π_u	9		110	H	gas	PD	Zhao, de Beer, et al., 1996, 2

State: B

Energy (cm^-1)	Med.	References


T_o = 11380 ± 400	gas	Bragg, Verlet, et al., 2004

State: A

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


T_o = 9352 ± 2	Ne	A-X	737	1070	Freivogel, Grutter, et al., 1997

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


Σ_g⁺	1	2111 ± 4		Ne	AB	Freivogel, Grutter, et al., 1997
	2	1912 ± 4		Ne	AB	Freivogel, Grutter, et al., 1997
	3	651 ± 3		Ne	AB	Freivogel, Grutter, et al., 1997
Π_g	7	238 ± 2	H	Ne	AB	Freivogel, Grutter, et al., 1997
Π_u	9	128 ± 2	H	Ne	AB	Freivogel, Grutter, et al., 1997

State: X

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


Σ_g⁺	1	Sym. stretch	2083		Ar	Ra	Szczepanski, Auerbach, et al., 1997
	2	Sym. stretch	1775		Ar	Ra	Szczepanski, Auerbach, et al., 1997
	3	C-C stretch	564		gas	PD	Zhao, de Beer, et al., 1996, 2
	3	C-C stretch	634		Ar	Ra	Szczepanski, Auerbach, et al., 1997
Σ_u⁺	4	Asym. stretch	1938.5		Ne	IR	Freivogel, Grutter, et al., 1997, 2
	4	Asym. stretch	1936.7		Ar	IR	Szczepanski, Ekern, et al., 1997
Π_g	7		220	T	gas	PE	Arnold, Zhao, et al., 1992
	8		201	H	gas	PD	Zhao, de Beer, et al., 1996, 2
	8		234	H	Ar	Ra	Szczepanski, Auerbach, et al., 1997
Π_u	9		111	T	gas	PE	Arnold, Zhao, et al., 1992

Additional references: Jacox, 1994, page 342; Jacox, 1998, page 318; Jacox, 2003, page 326; Frischkorn, Bragg, et al., 2001

Notes

(1/2)(2ν)

Tentative assignment or approximate value

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

Photodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Notes

Arnold, Zhao, et al., 1992
Arnold, C.C.; Zhao, Y.X.; Kitsopoulos, T.N.; Neumark, D.M., Study of C6(-) and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy, J. Chem. Phys., 1992, 97, 9, 6121, https://doi.org/10.1063/1.463722 . [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]

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]

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]

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.; Xu, C.; Taylor, T.; Neumark, D.M., Spectroscopy and electron detachment dynamics of C-4, C-6, and C-8, J. Chem. Phys., 1996, 105, 12, 4905, https://doi.org/10.1063/1.472341 . [all data]

Tulej, Kirkwood, et al., 1998
Tulej, M.; Kirkwood, D.A.; Pachkov, M.; Maier, J.P., Gas-Phase Electronic Transitions of Carbon Chain Anions Coinciding with Diffuse Interstellar Bands, Astrophys. J., 1998, 506, 1, L69, https://doi.org/10.1086/311637 . [all data]

Forney, Fulara, et al., 1995
Forney, D.; Fulara, J.; Freivogel, P.; Jakobi, M.; Lessen, D.; Maier, J.P., Electronic absorption spectra of linear carbon chains in neon matrices. I. C-6, C6, and C6H, J. Chem. Phys., 1995, 103, 1, 48, https://doi.org/10.1063/1.469620 . [all data]

Szczepanski, Ekern, et al., 1997
Szczepanski, J.; Ekern, S.; Vala, M., Vibrational Spectroscopy of Small Matrix-Isolated Linear Carbon Cluster Anions, J. Phys. Chem. A, 1997, 101, 10, 1841, https://doi.org/10.1021/jp963200z . [all data]

Bragg, Verlet, et al., 2004
Bragg, A.E.; Verlet, J.R.R.; Kammrath, A.; Neumark, D.M., C[sub 6]-] electronic relaxation dynamics probed via time-resolved photoelectron imaging, J. Chem. Phys., 2004, 121, 8, 3515, https://doi.org/10.1063/1.1769368 . [all data]

Szczepanski, Auerbach, et al., 1997
Szczepanski, J.; Auerbach, E.; Vala, M., C, J. Phys. Chem. A, 1997, 101, 49, 9296, https://doi.org/10.1021/jp972547e . [all data]

Freivogel, Grutter, et al., 1997, 2
Freivogel, P.; Grutter, M.; Forney, D.; Maier, J.P., Infrared bands of mass-selected carbon chains Cn (n = 8-12) and Cn- (n = 5-10, 12) in neon matrices, Chem. Phys., 1997, 216, 3, 401, https://doi.org/10.1016/S0301-0104(97)00038-4 . [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]

Frischkorn, Bragg, et al., 2001
Frischkorn, C.; Bragg, A.E.; Davis, A.V.; Wester, R.; Neumark, D.M., Electronic relaxation dynamics of carbon cluster anions: Excitation of the C [sup 2]Π[sub g]←X [sup 2]Π[sub u] transition in C[sub 6][sup -], J. Chem. Phys., 2001, 115, 24, 11185, https://doi.org/10.1063/1.1421378 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C6 anion

Gas phase thermochemistry data

Vibrational and/or electronic energy levels

State: ?

State: F

State: (3) 2Πg

State: (2) 2Πg

State: C

State: B

State: A

State: X

Notes

References

Notes

State: (3) ²Π_g

State: (2) ²Π_g