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

Tetracarbon


Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics 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.

Quantity Value Units Method Reference Comment
Deltafgas232.00kcal/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar54.570cal/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 1200.1200. - 6000.
A 8.33327020.08200
B 20.159700.417416
C -13.30020-0.081463
D 3.3048810.005486
E -0.111889-2.133951
F 228.3550220.8820
G 58.5764171.80550
H 232.0000232.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

Gas phase ion energetics data

Go To: Top, Gas phase 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C4+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
3.882 ± 0.010LPESArnold, Bradforth, et al., 1991Linear structure for both anion and neutral. Bound state 37.063 kcal/mol up: Zhao, de Beer, et al., 1996; B
3.70 ± 0.10LPESYang, Taylor, et al., 1989EA given is Vertical Detachment Energy. probably linear structure.; B
2.10 ± 0.10LPDVager, Feldman, et al., 1991Cyclic isomer, by Coulomb explosion, Zhao, de Beer, et al., 1996 claims hot ions are the source.; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.54 ± 0.35PERamathan, Zimmerman, et al., 1993LL
12.6EIDrowart, Burns, et al., 1959RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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: Marilyn E. Jacox

State:   3Su-


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

To = 26384.9 ± 0.2 gas 3Su--X 334 379 Linnartz, Vaizert, et al., 2000
To = 26323 ± 15 Ne 3Su--X 325 380 Freivogel, Grutter, et al., 1996


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

Sigmag+ 1 Sym. stretch 1821 gas CR Linnartz, Vaizert, et al., 2000
1 Sym. stretch 1822 ± 20 Ne AB Freivogel, Grutter, et al., 1996
2 C-C stretch 869 gas CR Linnartz, Vaizert, et al., 2000
2 C-C stretch 903 ± 20 Ne AB Freivogel, Grutter, et al., 1996
Pig 4 Bend 370 ± 20 H Ne AB Freivogel, Grutter, et al., 1996
Piu 5 Bend 175 ± 20 H Ne AB Freivogel, Grutter, et al., 1996

State:   1Pig


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

To = 11380 gas Xu, Burton, et al., 1997

State:   1Piu


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

To = 9360 ± 160 T gas Xu, Burton, et al., 1997

State:   3Piu


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

T = 7500 ± 160 gas Xu, Burton, et al., 1997

State:   3Og


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

T = 6620 ± 160 gas Xu, Burton, et al., 1997

State:   1Sg+


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

To = 4030 ± 160 T gas Xu, Burton, et al., 1997

State:   1Dg


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

To = 2680 ± 120 gas Arnold, Bradforth, et al., 1991
Xu, Burton, et al., 1997


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

Sigmag+ 1 Sym. stretch 2032 ± 50 gas PE Xu, Burton, et al., 1997
Pig 4 Bend 331 ± 50 gas PE Xu, Burton, et al., 1997

State:   X


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

Sigmag+ 1 Sym. stretch 2057 ± 50 gas PE Arnold, Bradforth, et al., 1991
Xu, Burton, et al., 1997
Sigmau 3 Asym. stretch 1548.61 gas DL Heath and Saykally, 1991
3 Asym. stretch 1547.0 Ne IR Smith, Agreiter, et al., 1994
Forney, Jacox, et al., 1995
Tam, Macler, et al., 1997
Wu, Chen, et al., 2009
3 Asym. stretch 1543.4 Ar IR Shen and Graham, 1989
3 Asym. stretch 1539.5 Kr IR Szczepanski, Ekern, et al., 1996
Pig 4 Bend 352 ± 15 gas PE DL Arnold, Bradforth, et al., 1991
Moazzen-Ahmadi and Thong, 1995
Xu, Burton, et al., 1997
Gakwaya, Abusara, et al., 2004
Piu 5 Bend 160 ± 4 gas DL Moazzen-Ahmadi, Thong, et al., 1994
5 Bend 172.4 Ar IR Withey, Shen, et al., 1991
5 Bend 170.4 Ar IR Withey, Shen, et al., 1991

Additional references: Jacox, 1994, page 181; Jacox, 1998, page 245; Jacox, 2003, page 214; Cheung and Graham, 1989; Jiang and Graham, 1991

Notes

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

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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., 1989
Yang, S.; Taylor, K.J.; Craycraft, M.J.; Conceicao, J.; Pettiette, C.L.; Cherhnovsky, O.; Smalley, R.E., UPS of 2-30 Atom Carbon Clusters: Chains and Rings, Chem. Phys. Lett., 1989, 144, 5-6, 431, https://doi.org/10.1016/0009-2614(88)87291-9 . [all data]

Vager, Feldman, et al., 1991
Vager, Z.; Feldman, H.; Kella, D.; Malkin, E.; Miklazky, E.; Zajfman, J.; Naaman, R., The Structure of Small Carbon Clusters, Z. Phys. D, 1991, 19, 1-4, 413, https://doi.org/10.1007/BF01448341 . [all data]

Ramathan, Zimmerman, et al., 1993
Ramathan, R.; Zimmerman, J.A.; Eyler, J.R., Ionization potentials of small carbon clusters, J. Chem. Phys., 1993, 98, 7838. [all data]

Drowart, Burns, et al., 1959
Drowart, J.; Burns, R.P.; DeMaria, G.; Inghram, M.G., Mass spectrometric study of carbon vapor, J. Chem. Phys., 1959, 31, 1131. [all data]

Linnartz, Vaizert, et al., 2000
Linnartz, H.; Vaizert, O.; Motylewski, T.; Maier, J.P., The [sup 3]«SIGMA»[sub u][sup -]<--X [sup 3]«SIGMA»[sub g][sup -] electronic spectrum of linear C[sub 4] in the gas phase, J. Chem. Phys., 2000, 112, 22, 9777, https://doi.org/10.1063/1.481615 . [all data]

Freivogel, Grutter, et al., 1996
Freivogel, P.; Grutter, M.; Forney, D.; Maier, J.P., The 3«SIGMA»u- <-- X3«SIGMA»g- electronic absorption spectrum of linear C4 in a neon matrix, Chem. Phys. Lett., 1996, 249, 3-4, 191, https://doi.org/10.1016/0009-2614(95)01391-1 . [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]

Heath and Saykally, 1991
Heath, J.R.; Saykally, R.J., The structure of the C4 cluster radical, J. Chem. Phys., 1991, 94, 4, 3271, https://doi.org/10.1063/1.459797 . [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]

Forney, Jacox, et al., 1995
Forney, D.; Jacox, M.E.; Thompson, W.E., The Infrared and Near-Infrared Spectra of HCC and DCC Trapped in Solid Neon, J. Mol. Spectrosc., 1995, 170, 1, 178, https://doi.org/10.1006/jmsp.1995.1065 . [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]

Shen and Graham, 1989
Shen, L.N.; Graham, W.R.M., Observation of an infrared frequency of the C4 molecule, J. Chem. Phys., 1989, 91, 8, 5115, https://doi.org/10.1063/1.457603 . [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]

Moazzen-Ahmadi and Thong, 1995
Moazzen-Ahmadi, N.; Thong, J.J., Infrared diode laser spectroscopy of C4. The «nu»3 + «nu»4 - «nu»4 sequence band, Chem. Phys. Lett., 1995, 233, 4, 471, https://doi.org/10.1016/0009-2614(94)01467-A . [all data]

Gakwaya, Abusara, et al., 2004
Gakwaya, S.; Abusara, Z.; Moazzen-Ahmadi, N., Vibrational hot bands of linear C4 and C5 arising from a bending vibration with two quanta in the lowest bend: the («nu»3+2«nu»5)-2«nu»5 band of C4 and the («nu»3+2«nu»7)-2«nu»7 band of C5, Chem. Phys. Lett., 2004, 398, 4-6, 564, https://doi.org/10.1016/j.cplett.2004.09.130 . [all data]

Moazzen-Ahmadi, Thong, et al., 1994
Moazzen-Ahmadi, N.; Thong, J.J.; McKellar, A.R.W., Infrared diode laser spectroscopy of the «nu»3 fundamental and «nu»3+«nu»5-«nu»5 sequence bands of the C4 radical in a hollow cathode discharge, J. Chem. Phys., 1994, 100, 6, 4033, https://doi.org/10.1063/1.466340 . [all data]

Withey, Shen, et al., 1991
Withey, P.A.; Shen, L.N.; Graham, W.R.M., Fourier transform far infrared spectroscopy of a C4 bending mode, J. Chem. Phys., 1991, 95, 2, 820, https://doi.org/10.1063/1.461088 . [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]

Cheung and Graham, 1989
Cheung, H.M.; Graham, W.R.M., Electron-spin-resonance characterization of nonlinear C4 trapped in solid argon, J. Chem. Phys., 1989, 91, 11, 6664, https://doi.org/10.1063/1.457385 . [all data]

Jiang and Graham, 1991
Jiang, Q.; Graham, W.R.M., Electron-paramagnetic-resonance study of the structure of C4 in solid Ne, J. Chem. Phys., 1991, 95, 5, 3129, https://doi.org/10.1063/1.460870 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References