Toluene-D8

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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 by: John E. Bartmess

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Individual Reactions

C7D7- + Deuterium cation = Toluene-D8

By formula: C7D7- + D+ = C7D8

Quantity Value Units Method Reference Comment
Δr386.44 ± 0.67kcal/molG+TSEllison, Davico, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr377.20 ± 0.30kcal/molIMREEllison, Davico, et al., 1996gas phase

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 and Joel F. Liebman

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7D7+11.25 ± 0.05DPIPECOLifshitz, 1991T = 0K

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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.

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Lifshitz, 1991
Lifshitz, C., Dissociative photoionization in the vacuum UV region with ion trapping, Int. J. Mass Spectrom. Ion Processes, 1991, 106, 159. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References