C6

Formula: C₆
Molecular weight: 72.0642
CAS Registry Number: 129066-00-8
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Vibrational and/or electronic energy levels

State: 2 ³S_u^-

Energy (cm^-1)	Med.	References


T_x = 43860	gas	Boguslavskiy and Maier, 2006
T_o = 42108 ± 35	Ne	Grutter, Wyss, et al., 1999

State: 5 ³Π_u

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


T_o = 40090 ± 32	T	Ne	241	249	Grutter, Wyss, et al., 1999
T_x = 40650	T	Ar			Kurtz and Huffman, 1990

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


Σ_g⁺	3	Stretch	644 ± 45	Ne	AB	Grutter, Wyss, et al., 1999

State: ³S_u^-

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


T_o = 19558 ± 5	Ne	A-X	430	512	Forney, Fulara, et al., 1995
T_o = 19220	Ar				Szczepanski, Ekern, et al., 1997

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


Σ_g⁺	1	2096 ± 5	Ne	AB	Forney, Fulara, et al., 1995
	2	1566 ± 5	Ne	AB	Forney, Fulara, et al., 1995
	3	640 ± 5	Ne	AB	Forney, Fulara, et al., 1995

State: ³Π_u

Energy (cm^-1)	Med.	References


T_o = 880 ± 160	gas	Xu, Burton, et al., 1997

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


Σ_g⁺	3	Stretch	640 ± 50	gas	PE	Xu, Burton, et al., 1997

State: ³S_u⁺

Energy (cm^-1)	Med.	References


T_o = 6850 ± 120	gas	Xu, Burton, et al., 1997

State: ¹D_g

Energy (cm^-1)	Med.	References


T_o = 1340 ± 120	gas	Xu, Burton, et al., 1997

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


Σ_g⁺	1	Sym. stretch	2016 ± 50	gas	PE	Xu, Burton, et al., 1997
	2	Sym. stretch	1686 ± 50	gas	PE	Xu, Burton, et al., 1997

State: X

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


Σ_g⁺	1	Sym. stretch	2061 ± 10		gas	TPE PE	Arnold, Zhao, et al., 1992 Xu, Burton, et al., 1997
	1	Sym. stretch	2050	T	Ar	IR	Szczepanski, Ekern, et al., 1996
	2	Sym. stretch	1694 ± 50		gas	PE	Xu, Burton, et al., 1997
	3	Stretch	637 ± 50		gas	PE	Xu, Burton, et al., 1997
Σ_u⁺	4	Asym. stretch	1959.86		gas	DL	Hwang, Van Orden, et al., 1993
	4	Asym. stretch	1958.7		Ne	IR	Smith, Agreiter, et al., 1994 Forney, Fulara, et al., 1995 Tam, Macler, et al., 1997 Wu, Chen, et al., 2009
	4	Asym. stretch	1952.0		Ar	IR	Kurtz and Huffman, 1990 Kurtz and Huffman, 1990 Kranze and Graham, 1993
	4	Asym. stretch	1951.2		Kr	IR	Szczepanski, Ekern, et al., 1996
	4	Asym. stretch	1956.8		H₂	IR	Tam, Macler, et al., 1997
	5	Asym. stretch	1199.4		Ne	IR	Smith, Agreiter, et al., 1994
	5	Asym. stretch	1197.3		Ar	IR	Thompson, DeKock, et al., 1971 Vala, Chandrasekhar, et al., 1988 Kranze and Graham, 1993
	5	Asym. stretch	1197.0		Kr	IR	Szczepanski, Ekern, et al., 1996
Π_g	7	Bend	246 ± 50	H	gas	PE	Arnold, Bradforth, et al., 1991 Xu, Burton, et al., 1997
Π_u	9	Bend	90 ± 50	H	gas	PE	Xu, Burton, et al., 1997

Additional references: Jacox, 1994, page 342; Jacox, 1998, page 317; Jacox, 2003, page 325; Van Zee, Ferrante, et al., 1988

Notes

(1/2)(2ν)

Tentative assignment or approximate value

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

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Boguslavskiy and Maier, 2006
Boguslavskiy, A.; Maier, J.P., Gas phase electronic spectra of the carbon chains C[sub 5], C[sub 6], C[sub 8], and C[sub 9], J. Chem. Phys., 2006, 125, 9, 094308, https://doi.org/10.1063/1.2276848 . [all data]

Grutter, Wyss, et al., 1999
Grutter, M.; Wyss, M.; Riaplov, E.; Maier, J.P.; Peyerimhoff, S.D.; Hanrath, M., Electronic absorption spectra of linear C[sub 6], C[sub 8] and cyclic C[sub 10], C[sub 12] in neon matrices, J. Chem. Phys., 1999, 111, 16, 7397, https://doi.org/10.1063/1.480062 . [all data]

Kurtz and Huffman, 1990
Kurtz, J.; Huffman, D.R., Combined infrared and ultraviolet-visible spectroscopy matrix-isolated carbon vapor, J. Chem. Phys., 1990, 92, 1, 30, https://doi.org/10.1063/1.458478 . [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]

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]

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]

Szczepanski, Ekern, et al., 1996
Szczepanski, J.; Ekern, S.; Chapo, C.; Vala, M., Infrared spectroscopy of matrix-isolated carbon clusters, with emphasis on C8 and C9, Chem. Phys., 1996, 211, 1-3, 359, https://doi.org/10.1016/0301-0104(96)00212-1 . [all data]

Hwang, Van Orden, et al., 1993
Hwang, H.J.; Van Orden, A.; Tanaka, K.; Kuo, E.W.; Heath, J.R.; Saykally, R.J., Infrared laser spectroscopy of jet-cooled carbon clusters, Mol. Phys., 1993, 79, 4, 769, https://doi.org/10.1080/00268979300101611 . [all data]

Smith, Agreiter, et al., 1994
Smith, A.M.; Agreiter, J.; Hartle, M.; Engel, C.; Bondybey, V.E., Rare gas matrix studies of absorption and fluorescence of reactive intermediates formed in discharges through acetylene, Chem. Phys., 1994, 189, 2, 315, https://doi.org/10.1016/0301-0104(94)00299-1 . [all data]

Tam, Macler, et al., 1997
Tam, S.; Macler, M.; Fajardo, M.E., Matrix isolation spectroscopy of laser ablated carbon species in Ne, D[sub 2], and H[sub 2] matrices, J. Chem. Phys., 1997, 106, 22, 8955, https://doi.org/10.1063/1.474028 . [all data]

Wu, Chen, et al., 2009
Wu, Y.-J.; Chen, H.-F.; Camacho, C.; Sitek, H.A.; Hsu, S.-C.; Lin, M.-Y.; Chou, S.-L.; Ogilvie, J.F.; Cheng, B.-M., FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C, Astrophys. J., 2009, 701, 1, 8, https://doi.org/10.1088/0004-637X/701/1/8 . [all data]

Kranze and Graham, 1993
Kranze, R.H.; Graham, W.R.M., Fourier transform infrared isotopic study of the ν4 and ν5 stretching modes of linear C6 in Ar at 10 K, J. Chem. Phys., 1993, 98, 1, 71, https://doi.org/10.1063/1.464618 . [all data]

Thompson, DeKock, et al., 1971
Thompson, K.R.; DeKock, R.L.; Weltner, W., Jr., Spectroscopy of carbon molecules. IV. C4, C5, C6 (and C9), J. Am. Chem. Soc., 1971, 93, 19, 4688, https://doi.org/10.1021/ja00748a007 . [all data]

Vala, Chandrasekhar, et al., 1988
Vala, M.; Chandrasekhar, T.M.; Szczepanski, J.; Pellow, R., High Temp. Sci., 1988, 27, 19. [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]

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]

Van Zee, Ferrante, et al., 1988
Van Zee, R.J.; Ferrante, R.F.; Zeringue, K.J.; Weltner, W., Jr., Electron spin resonance of the C6, C8, and C10 molecules, J. Chem. Phys., 1988, 88, 6, 3465, https://doi.org/10.1063/1.453895 . [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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C6

Vibrational and/or electronic energy levels

State: 2 3Su-

State: 5 3Πu

State: 3Su-

State: 3Πu

State: 3Su+

State: 1Dg

State: X

Notes

References

Notes

State: 2 ³S_u^-

State: 5 ³Π_u

State: ³S_u^-

State: ³Π_u

State: ³S_u⁺

State: ¹D_g