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Anthracene,9-(1,1-dimethylethyl)-


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

9-Tert-butyl-9,10-(dewar anthracene) = Anthracene,9-(1,1-dimethylethyl)-

By formula: C18H18 = C18H18

Quantity Value Units Method Reference Comment
Deltar-172.3 ± 5.7kJ/molEqkDreeskamp, Kapahnke, et al., 1988liquid phase; solvent: Decalin; Isomerization
Deltar150. ± 8.kJ/molCisoKraljic, Mintas, et al., 1983liquid phase; solvent: Hexane

Anthracene,9-(1,1-dimethylethyl)- = 9-Tert-butyl-9,10-(dewar anthracene)

By formula: C18H18 = C18H18

Quantity Value Units Method Reference Comment
Deltar-172.3 ± 5.7kJ/molCisoJahn and Dreeskamp, 1982liquid phase; solvent: Decalin

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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
7.13PEKlasinc, Kovac, et al., 1983LBLHLM
7.13PEKlasinc, Kovac, et al., 1978LLK
7.13 ± 0.03PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
7.13 ± 0.03PEKlasinc, Kovac, et al., 1978Vertical value; LLK

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.

Dreeskamp, Kapahnke, et al., 1988
Dreeskamp, H.; Kapahnke, P.; Tochtermann, W., Photo valence isomerization of sterically strained aromatic hydrocarbons: 8,9-dicarbethoxy[6]paracyclophane, Radiat. Phys. Chem., 1988, 32, 537-539. [all data]

Kraljic, Mintas, et al., 1983
Kraljic, I.; Mintas, M.; Klasinc, L.; Ranogajec, F.; Guesten, H., Thermo- and photochemical aspects of the valence isomerization of 9-tert-butylanthracene, Nouv. J. Chim., 1983, 7, 239-243. [all data]

Jahn and Dreeskamp, 1982
Jahn, B.; Dreeskamp, H., Valence isomerization of the 9,10-Dewar isomer to 9-tert-butylanthracene, Z. Naturforsch. A, 1982, 37, 376-379. [all data]

Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H., Photoelectron spectra of acenes. Electronic structure and substituent effects, Pure Appl. Chem., 1983, 55, 289. [all data]

Klasinc, Kovac, et al., 1978
Klasinc, L.; Kovac, B.; Schoof, S.; Gusten, H., Photoelectron spectroscopy of 9-substituted anthracenes, Croat. Chem. Acta., 1978, 51, 307. [all data]


Notes

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