Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1,3,5-hexatrinyl radical

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Vibrational and/or electronic energy levels

Go To: Top, References, Notes

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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

Sigma+ 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
Pi 11 Deformation (w) 95 ± 1 gas CR Zhao, Haddad, et al., 2011

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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

Sigma+ 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

Sigma+ CC stretch 1962.2 T Ne IR Forney, Fulara, et al., 1995
CðC stretch 1953.4 Ar IR Doyle, Shen, et al., 1991
Pi 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«equiv»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