Bicyclo[2.2.1]hexa-2,5-diene, 2,3-dicarbonitrile-


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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Bicyclo[2.2.1]hexa-2,5-diene, 2,3-dicarbonitrile- = Tetracyclo[3.2.0.02,7.04,6]heptane-1,5-dicarbonitrile

By formula: C9H6N2 = C9H6N2

Quantity Value Units Method Reference Comment
Δr93.3 ± 9.6kJ/molCisoHarel, Adamson, et al., 1987liquid phase; solvent: Acetonitrile; Photocalorimatry

Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
9.3PEKobayashi, Yoshida, et al., 1987 
9.3PEKobayashi, Yoshida, et al., 1986 
9.60PEKobayashi, Yoshida, et al., 1987Vertical value
9.60PEKobayashi, Yoshida, et al., 1986Vertical value

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.

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]

Kobayashi, Yoshida, et al., 1987
Kobayashi, T.; Yoshida, Z.; Asako, Y.; Miki, S.; Kato, S., Electronic structures of dicyanobicycloalkadienes, J. Am. Chem. Soc., 1987, 109, 5103. [all data]

Kobayashi, Yoshida, et al., 1986
Kobayashi, T.; Yoshida, Z.; Asako, Y.; Kiki, S.; ato, S., Avoided crossing between the ground and first excited 2A' cation states of dicyanobicycloalkadiene series revealed by photoelectron spectroscopy, Chem. Phys. Lett., 1986, 125, 586. [all data]


Notes

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