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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
Deltar22.3 ± 2.3kcal/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

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 217091

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Kobayashi, et al., 1987
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 17230
Instrument Hitachi 340
Melting point 48

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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]

Kobayashi, et al., 1987
Kobayashi, T., et al., J. Am. Chem. Soc., 1987, 109, 5103. [all data]


Notes

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