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Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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Individual Reactions

Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane = 2,5-Norbornadiene

By formula: C7H8 = C7H8

Quantity Value Units Method Reference Comment
Deltar-90. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points

C7H7- + Hydrogen cation = Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Deltar1686. ± 4.2kJ/molD-EAGunion, Karney, et al., 1996gas phase; Assignment of 1- and 2- isomers uncertain.; B
Deltar1685.6 ± 3.8kJ/molG+TSLee, DePuy, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar1651.4 ± 3.3kJ/molIMRELee, DePuy, et al., 1996gas phase; B

2Hydrogen + Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane = Norbornane

By formula: 2H2 + C7H8 = C7H12

Quantity Value Units Method Reference Comment
Deltar-384.7 ± 1.8kJ/molChydRogers, Choi, et al., 1980liquid phase; solvent: Hexane; ALS
Deltar-385.1 ± 2.1kJ/molChydTurner, Goebel, et al., 1968liquid phase; solvent: Acetic acid; ALS

C7H7- + Hydrogen cation = Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Deltar1685.7 ± 3.8kJ/molG+TSLee, DePuy, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar1651.4 ± 3.3kJ/molIMRELee, DePuy, et al., 1996gas phase; B

2,5-Norbornadiene = Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

By formula: C7H8 = C7H8

Quantity Value Units Method Reference Comment
Deltar59. ± 4.kJ/molCisoHarel, Adamson, et al., 1987liquid phase; solvent: Cyclohexane; Photocalorimetry; ALS

References

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

Gunion, Karney, et al., 1996
Gunion, R.F.; Karney, W.; Wenthold, P.G.; Borden, W.T.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide, J. Am. Chem. Soc., 1996, 118, 21, 5074, https://doi.org/10.1021/ja954026f . [all data]

Lee, DePuy, et al., 1996
Lee, H.S.; DePuy, C.H.; Bierbaum, V.M., Reactivity and Thermochemistry of Quadricyclane in the Gas Phase, J. Am. Chem. Soc., 1996, 118, 21, 5068, https://doi.org/10.1021/ja9540278 . [all data]

Rogers, Choi, et al., 1980
Rogers, D.W.; Choi, L.S.; Girellini, R.S., Heats of hydrogenation and formation of quadricyclene, norbornadiene, norbornene, and nortricyclene, J. Phys. Chem., 1980, 84, 1810-1814. [all data]

Turner, Goebel, et al., 1968
Turner, R.B.; Goebel, P.; Mallon, B.J.; Doering, W.E.; Coburn, J.F., Jr.; Pomerantz, M., Heats of hydrogenation. VIII. Compounds with three- and four-membered rings, J. Am. Chem. Soc., 1968, 90, 4315-4322. [all data]

Harel, Adamson, et al., 1987
Harel, Y.; Adamson, A.W.; Kutal, C.; Grutsch, P.A.; Yasufuku, K., Photocalorimetry. 6. Enthalpies of isomerization of norbornadiene and of substituted norbornadienes to corresponding quadricyclenes, J. Phys. Chem., 1987, 91, 901-904. [all data]


Notes

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