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Acetylene ion


Reaction thermochemistry data

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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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C2H2+ + Acetylene = (C2H2+ bullet Acetylene)

By formula: C2H2+ + C2H2 = (C2H2+ bullet C2H2)

Quantity Value Units Method Reference Comment
Deltar22.6kcal/molPIOno and Ng, 1982gas phase

Ion clustering data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C2H2+ + Acetylene = (C2H2+ bullet Acetylene)

By formula: C2H2+ + C2H2 = (C2H2+ bullet C2H2)

Quantity Value Units Method Reference Comment
Deltar22.6kcal/molPIOno and Ng, 1982gas phase

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:   C


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

To = 92460 ± 80 gas Carlsson Gothe, Chau, et al., 1990


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

Sigmag+ 2 CC stretch 1370 T gas PE Carlsson Gothe, Chau, et al., 1990

State:   B


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

To = 56380 ± 80 gas Baker and Turner, 1968
Reutt, Wang, et al., 1986


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

Sigmag+ 1 CC stretch 2500 ± 20 gas PE Baker and Turner, 1968
Reutt, Wang, et al., 1986
2 CH s-stretch 1815 ± 20 gas PE Baker and Turner, 1968
Reutt, Wang, et al., 1986

State:   A


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

To = 39109.7 ± 1.0 gas A-X 240 255 Reutt, Wang, et al., 1986
Cha, Weinkauf, et al., 1995


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

ag 1 CH s-stretch 2530 ± 20 gas PE Reutt, Wang, et al., 1986
2 CC stretch 1730 ± 20 gas PE Reutt, Wang, et al., 1986
3 Bend 793 gas MPD Cha, Weinkauf, et al., 1995
au 4 Torsion 282 H gas MPD Cha, Weinkauf, et al., 1995
bu 6 Bend 436 H gas MPD Cha, Weinkauf, et al., 1995

State:   X


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

Sigmag+ 1 CH s-stretch 3234 A gas PF Dopfer, Olkhov, et al., 2004
Relph, Bopp, et al., 2009
2 CC stretch 1818 gas PE TPE Baker and Turner, 1968
Reutt, Wang, et al., 1986
Yang and Mo, 2006
Sigmau+ 3 CH a-stretch 3135.98 gas LD LR Crofton, Jagod, et al., 1987
Jagod, Rosslein, et al., 1992
Schlemmer, Asvany, et al., 2005
3 CH a-stretch 3152.7 A gas PF Dopfer, Olkhov, et al., 2004
Relph, Bopp, et al., 2009
3 CH a-stretch 3137.6 Ne IR Forney, Jacox, et al., 1992
Andrews, Kushto, et al., 1999
3 CH a-stretch 3105.5 Ar IR Jacox and Olson, 1987
Forney, Jacox, et al., 1992
Andrews, Kushto, et al., 1999
Pig 4 Deform. (w) 688.92 ± 0.29 gas PE TPE Pratt, Dehmer, et al., 1991
Pratt, Dehmer, et al., 1993
Yang and Mo, 2006
Tang, Chou, et al., 2006
4 Deform. (2Sg+) 897.17 gas PE TPE Pratt, Dehmer, et al., 1991
Pratt, Dehmer, et al., 1993
Yang and Mo, 2006
Tang, Chou, et al., 2006
4 Deform. (2Dg) 665.67 gas PE TPE Pratt, Dehmer, et al., 1991
Pratt, Dehmer, et al., 1993
Tang, Chou, et al., 2006
4 Deform. (2Sg-) 487.30 gas PE TPE Pratt, Dehmer, et al., 1991
Pratt, Dehmer, et al., 1993
Yang and Mo, 2006
Tang, Chou, et al., 2006
Piu 5 Deform. (w) 719.39 ± 0.35 gas LR TPE Asvany, Giesen, et al., 2005
Schlemmer, Asvany, et al., 2005
Yang and Mo, 2006
Tang, Chou, et al., 2006
5 Deform. (2Su+) 731.21 gas LR TPE Asvany, Giesen, et al., 2005
Schlemmer, Asvany, et al., 2005
Yang and Mo, 2006
Tang, Chou, et al., 2006
5 Deform. (2Du) 715.13 gas LR TPE Asvany, Giesen, et al., 2005
Schlemmer, Asvany, et al., 2005
Tang, Chou, et al., 2006
5 Deform. (2Su-) 682.08 gas LR TPE Asvany, Giesen, et al., 2005
Schlemmer, Asvany, et al., 2005
Yang and Mo, 2006
Tang, Chou, et al., 2006

Additional references: Jacox, 1994, page 133; Jacox, 1998, page 221; Jacox, 2003, page 164; Dibeler, Walker, et al., 1973; Rupper and Merkt, 2004

Notes

H(1/2)(2nu)
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
A0~1 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ono and Ng, 1982
Ono, Y.; Ng, C.Y., A Study of the Unimolecular Decomposition of the (C2H2)2+ Complex, J. Chem. Phys., 1982, 77, 6, 2947, https://doi.org/10.1063/1.444216 . [all data]

Carlsson Gothe, Chau, et al., 1990
Carlsson Gothe, M.; Chau, F.T.; Baltzer, P.; Svensson, S.; Wannberg, B.; Karlsson, L., Vibrationally resolved study of the fourth photoelectron band of acetylene at 23.5 eV, Chem. Phys. Lett., 1990, 174, 2, 109, https://doi.org/10.1016/0009-2614(90)80091-Q . [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes, Proc. Roy. Soc. (London), 1968, A308, 19. [all data]

Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A., Photoelectron spectroscopy and inferred femtosecond intramolecular dynamics of C2H+2 and C2D+2, J. Chem. Phys., 1986, 84, 6, 3022, https://doi.org/10.1063/1.450283 . [all data]

Cha, Weinkauf, et al., 1995
Cha, Ch.; Weinkauf, R.; Boesl, U., Laser spectroscopy of molecular ions: The A--X transition of the acetylene radical cation, J. Chem. Phys., 1995, 103, 13, 5224, https://doi.org/10.1063/1.470558 . [all data]

Dopfer, Olkhov, et al., 2004
Dopfer, O.; Olkhov, R.V.; Mladenovic, M.; Botschwina, P., Intermolecular interaction in an open-shell «pi»-bound cationic complex: IR spectrum and coupled cluster calculations for C[sub 2]H[sub 2][sup +]-Ar, J. Chem. Phys., 2004, 121, 4, 1744, https://doi.org/10.1063/1.1765091 . [all data]

Relph, Bopp, et al., 2009
Relph, R.A.; Bopp, J.C.; Roscioli, J.R.; Johnson, M.A., Structural characterization of (C[sub 2]H[sub 2])[sub 1--6]+] cluster ions by vibrational predissociation spectroscopy, J. Chem. Phys., 2009, 131, 11, 114305, https://doi.org/10.1063/1.3212595 . [all data]

Yang and Mo, 2006
Yang, J.; Mo, Y., Renner-Teller Effect in C, J. Phys. Chem. A, 2006, 110, 38, 11001, https://doi.org/10.1021/jp063209t . [all data]

Crofton, Jagod, et al., 1987
Crofton, M.W.; Jagod, M.-F.; Rehfuss, B.D.; Oka, T., Infrared spectra of carboions. II. «nu»3 band of acetylene ion C2H+2(2«PI»u), J. Chem. Phys., 1987, 86, 6, 3755, https://doi.org/10.1063/1.451929 . [all data]

Jagod, Rosslein, et al., 1992
Jagod, M.-F.; Rosslein, M.; Gabrys, C.M.; Rehfuss, B.D.; Scappini, F.; Crofton, M.W.; Oka, T., Infrared spectroscopy of carbo-ions. VI. C--H stretching vibration of the acetylene ion C2H2+ and isotopic species, J. Chem. Phys., 1992, 97, 10, 7111, https://doi.org/10.1063/1.463536 . [all data]

Schlemmer, Asvany, et al., 2005
Schlemmer, S.; Asvany, O.; Giesen, T., Comparison of the cis-bending and C?H stretching vibration on the reaction of C2H2+ with H2 using laser induced reactions, Phys. Chem. Chem. Phys., 2005, 7, 7, 1592, https://doi.org/10.1039/b418495p . [all data]

Forney, Jacox, et al., 1992
Forney, D.; Jacox, M.E.; Thompson, W.E., The vibrational spectra of molecular ions isolated in solid neon: HCCH+ and HCC-, J. Mol. Spectrosc., 1992, 153, 1-2, 680, https://doi.org/10.1016/0022-2852(92)90502-F . [all data]

Andrews, Kushto, et al., 1999
Andrews, L.; Kushto, G.P.; Zhou, M.; Willson, S.P.; Souter, P.F., Infrared spectrum of CCH[sup +] in solid argon and neon, J. Chem. Phys., 1999, 110, 9, 4457, https://doi.org/10.1063/1.478329 . [all data]

Jacox and Olson, 1987
Jacox, M.E.; Olson, W.B., The A 2«PI»--X 2«SIGMA»+ transition of HC2 isolated in solid argon, J. Chem. Phys., 1987, 86, 6, 3134, https://doi.org/10.1063/1.452024 . [all data]

Pratt, Dehmer, et al., 1991
Pratt, S.T.; Dehmer, P.M.; Dehmer, J.L., Photoelectron spectroscopy from the A 1Au state of acetylene: The bending vibrations of C2H+2 X 2«PI»u, J. Chem. Phys., 1991, 95, 9, 6238, https://doi.org/10.1063/1.461570 . [all data]

Pratt, Dehmer, et al., 1993
Pratt, S.T.; Dehmer, P.M.; Dehmer, J.L., Zero-kinetic-energy photoelectron spectroscopy from the A 1Au state of acetylene: Renner--Teller interactions in the trans-bending vibration of C2H+2 X 2«PI»u, J. Chem. Phys., 1993, 99, 9, 6233, https://doi.org/10.1063/1.465888 . [all data]

Tang, Chou, et al., 2006
Tang, S.-J.; Chou, Y.-C.; Lin, J.J.; Hsu, Y.-C., The bending vibrational levels of the acetylene cation: A case study of the Renner-Teller effect in a molecule with two degenerate bending vibrations, J. Chem. Phys., 2006, 125, 13, 133201, https://doi.org/10.1063/1.2199827 . [all data]

Asvany, Giesen, et al., 2005
Asvany, O.; Giesen, T.; Redlich, B.; Schlemmer, S., Experimental Determination of the «nu»5 Cis-Bending Vibrational Frequency and Renner-Teller Structure in Ground State (X2«PI»u) C2H2+ Using Laser Induced Reactions, Phys. Rev. Lett., 2005, 94, 7, 073001, https://doi.org/10.1103/PhysRevLett.94.073001 . [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]

Dibeler, Walker, et al., 1973
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Observations on hot bands in the molecular and dissociative photoionization of acetylene and the heat of formation of the ethynyl ion, J. Chem. Phys., 1973, 59, 2264. [all data]

Rupper and Merkt, 2004
Rupper, P.; Merkt, F., Intense narrow-bandwidth extreme ultraviolet laser system tunable up to 20 eV, Rev. Sci. Instrum., 2004, 75, 3, 613, https://doi.org/10.1063/1.1646744 . [all data]


Notes

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