1,3,5-hexatrinyl radical

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Vibrational and/or electronic energy levels

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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 compiled by: Marilyn E. Jacox

State:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 18989.77 gas B-X 484 528 Kotterer and Maier, 1997
Kirkwood, Linnartz, et al., 1998
Zhao, Haddad, et al., 2011
To = 18854 ± 5 Ne B-X 444 530 Forney, Fulara, et al., 1995


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

Σ+ 3 CC stretch 2076 ± 5 Ne AB Forney, Fulara, et al., 1995
5 CC stretch 1630.8 gas CR Kotterer and Maier, 1997
5 CC stretch 1638 ± 5 Ne AB Forney, Fulara, et al., 1995
6 C-C stretch 659.5 gas CR Kotterer and Maier, 1997
6 C-C stretch 658 ± 5 Ne AB Forney, Fulara, et al., 1995
Π 11 Deformation (w) 95 ± 1 gas CR Zhao, Haddad, et al., 2011

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 1413 ± 8 gas Taylor, Xu, et al., 1998
Garand, Yacovitch, et al., 2010


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

Σ+ 2 CC stretch 2260 ± 8 gas PE Taylor, Xu, et al., 1998
Garand, Yacovitch, et al., 2010
6 651 ± 8 gas PE Garand, Yacovitch, et al., 2010

State:   X


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

Σ+ CC stretch 1962.2 T Ne IR Forney, Fulara, et al., 1995
CðC stretch 1953.4 Ar IR Doyle, Shen, et al., 1991
Π 11 Deformation (w) 100 ± 10 gas CR Zhao, Haddad, et al., 2011
11 Deform. (u 2S) 11.0 ± 0.8 gas CR Zhao, Haddad, et al., 2011

Additional references: Jacox, 1994, page 369; Jacox, 1998, page 328; Jacox, 2003, page 341; Suzuki, Ohishi, et al., 1986; Guelin, Cernicharo, et al., 1987; Cernicharo, Guelin, et al., 1987; Saito, Kawaguchi, et al., 1987; Pearson, Gottlieb, et al., 1988; Linnartz, Motylewski, et al., 1999; McCarthy, Chen, et al., 1999; McCarthy and Thaddeus, 2005

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, 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.

Kotterer and Maier, 1997
Kotterer, M.; Maier, J.P., Electronic spectrum of C6H: in the gas-phase detected by cavity ringdown, Chem. Phys. Lett., 1997, 266, 3-4, 342, https://doi.org/10.1016/S0009-2614(97)00010-9 . [all data]

Kirkwood, Linnartz, et al., 1998
Kirkwood, D.A.; Linnartz, H.; Grutter, M.; Dopfer, O.; Motylewski, T.; Pachkov, M.; Tulej, M.; Wyss, M.; Maier, J.P., Electronic spectroscopy of carbon chains and relevance to astrophysics, Faraday Discuss., 1998, 109, 109, https://doi.org/10.1039/a800072g . [all data]

Zhao, Haddad, et al., 2011
Zhao, D.; Haddad, M.A.; Linnartz, H.; Ubachs, W., C6H and C6D: Electronic spectra and Renner-Teller analysis, J. Chem. Phys., 2011, 135, 4, 044307, https://doi.org/10.1063/1.3609112 . [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]

Taylor, Xu, et al., 1998
Taylor, T.R.; Xu, C.; Neumark, D.M., Photoelectron spectra of the C[sub 2n]H[sup -] (n=1--4) and C[sub 2n]D[sup -] (n=1--3) anions, J. Chem. Phys., 1998, 108, 24, 10018, https://doi.org/10.1063/1.476462 . [all data]

Garand, Yacovitch, et al., 2010
Garand, E.; Yacovitch, T.I.; Zhou, J.; Sheehan, S.M.; Neumark, D.M., Slow photoelectron velocity-map imaging of the CnH- (n = 5--9) anions, Chem. Sci., 2010, 2, 2, 192, https://doi.org/10.1039/c0sc00164c . [all data]

Doyle, Shen, et al., 1991
Doyle, T.J.; Shen, L.N.; Rittby, C.M.L.; Graham, W.R.M., A C≡C stretching vibration of the C6H (hexatriynyl) radical in Ar at 10 K, J. Chem. Phys., 1991, 95, 9, 6224, https://doi.org/10.1063/1.461568 . [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]

Suzuki, Ohishi, et al., 1986
Suzuki, H.; Ohishi, M.; Kaifu, N.; Saito, S.; Kawaguchi, K., Publ. Astron. Soc. Japan, 1986, 38, 911. [all data]

Guelin, Cernicharo, et al., 1987
Guelin, M.; Cernicharo, J.; Kahane, C.; Gomez-Gonzalez, J.; Walmsley, C.M., Astron. Astrophys., 1987, 175, L5. [all data]

Cernicharo, Guelin, et al., 1987
Cernicharo, J.; Guelin, M.; Menten, K.M.; Walmsley, C.M., Astron. Astrophys., 1987, 181, L1. [all data]

Saito, Kawaguchi, et al., 1987
Saito, S.; Kawaguchi, K.; Suzuki, H.; Ohishi, M.; Kaifu, N.; Ishikawa, S., Publ. Astron. Soc. Japan, 1987, 39, 193. [all data]

Pearson, Gottlieb, et al., 1988
Pearson, J.C.; Gottlieb, C.A.; Woodward, D.R.; Thaddeus, P., Astron. Astrophys., 1988, 189, L13. [all data]

Linnartz, Motylewski, et al., 1999
Linnartz, H.; Motylewski, T.; Vaizert, O.; Maier, J.P.; Apponi, A.J.; McCarthy, M.C.; Gottlieb, C.A.; Thaddeus, P., Electronic Ground and Excited State Spectroscopy of C6H and C6D, J. Mol. Spectrosc., 1999, 197, 1, 1, https://doi.org/10.1006/jmsp.1999.7885 . [all data]

McCarthy, Chen, et al., 1999
McCarthy, M.C.; Chen, W.; Apponi, A.J.; Gottlieb, C.A.; Thaddeus, P., Hyperfine Structure of the C, Astrophys. J., 1999, 520, 1, 158, https://doi.org/10.1086/307434 . [all data]

McCarthy and Thaddeus, 2005
McCarthy, M.C.; Thaddeus, P., Rotational spectrum and carbon-13 hyperfine structure of the C[sub 3]H, C[sub 5]H, C[sub 6]H, and C[sub 7]H radicals, J. Chem. Phys., 2005, 122, 17, 174308, https://doi.org/10.1063/1.1867356 . [all data]


Notes

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