Naphthalene, 2-bromo-

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Gas phase 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

Quantity Value Units Method Reference Comment
Δfgas41.97 ± 0.55kcal/molCcrRibeiro da Silva, Ferrao, et al., 1993 

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2-bromonaphthalen-7-ide anion + Hydrogen cation = Naphthalene, 2-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Δr390.3 ± 3.3kcal/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes
Quantity Value Units Method Reference Comment
Δr382.5 ± 3.4kcal/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes

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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
8.18 ± 0.03TRPIGotkis, Naor, et al., 1993LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C10H7+11.29BrDERGotkis, Naor, et al., 1993LL
C10H7+12.1 ± 0.1BrTRPIGotkis, Naor, et al., 1993LL

De-protonation reactions

2-bromonaphthalen-7-ide anion + Hydrogen cation = Naphthalene, 2-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Δr390.3 ± 3.3kcal/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B
Quantity Value Units Method Reference Comment
Δr382.5 ± 3.4kcal/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B

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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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 .


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 Japan AIST/NIMC Database- Spectrum MS-NW-1816
NIST MS number 228719

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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, Eugeny B. Stern, Antonina A. Goncharova, 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 McClure, Blake, et al., 1954
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. 994
Instrument n.i.g.
Melting point 59
Boiling point 281.5

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.

Ribeiro da Silva, Ferrao, et al., 1993
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Lopes, A.J.M., Enthalpies of combustion of each of the two bromonaphthalenes, J. Chem. Thermodyn., 1993, 25, 229-235. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method, J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105 . [all data]

Gotkis, Naor, et al., 1993
Gotkis, Y.; Naor, M.; Laskin, J.; Lifshitz, C.; Faulk, J.D.; Dunbar, R.C., Time-resolved dissociation of bromonaphthalene ion studied by TPIMS and TRPD. Heat of formation of naphthyl ion, J. Am. Chem. Soc., 1993, 115, 7402. [all data]

McClure, Blake, et al., 1954
McClure, D.S.; Blake, N.W.; Hanst, P.L., Singlet-triplet absorption bands in some halogen substituted aromatic compounds, J. Chem. Phys., 1954, 22, 2, 255-258. [all data]


Notes

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