Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzene, 1,4-difluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Ion clustering data

Go To: Top, References, Notes

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H4F2+ + Benzene, 1,4-difluoro- = (C6H4F2+ bullet Benzene, 1,4-difluoro-)

By formula: C6H4F2+ + C6H4F2 = (C6H4F2+ bullet C6H4F2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar37.kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M

C6H6+ + Benzene, 1,4-difluoro- = (C6H6+ bullet Benzene, 1,4-difluoro-)

By formula: C6H6+ + C6H4F2 = (C6H6+ bullet C6H4F2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M

Chlorine anion + Benzene, 1,4-difluoro- = (Chlorine anion bullet Benzene, 1,4-difluoro-)

By formula: Cl- + C6H4F2 = (Cl- bullet C6H4F2)

Quantity Value Units Method Reference Comment
Deltar57.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar90.4J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)ClCOOCH3, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar31. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Chromium ion (1+) + Benzene, 1,4-difluoro- = (Chromium ion (1+) bullet Benzene, 1,4-difluoro-)

By formula: Cr+ + C6H4F2 = (Cr+ bullet C6H4F2)

Quantity Value Units Method Reference Comment
Deltar121.kJ/molRAKRyzhov, 1999RCD

NH4+ + Benzene, 1,4-difluoro- = (NH4+ bullet Benzene, 1,4-difluoro-)

By formula: H4N+ + C6H4F2 = (H4N+ bullet C6H4F2)

Quantity Value Units Method Reference Comment
Deltar54.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
21.395.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ernstberger, Krause, et al., 1990
Ernstberger, B.; Krause, H.; Kiermeier, A.; Neusser, H.J., Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer, J. Chem. Phys., 1990, 92, 9, 5285, https://doi.org/10.1063/1.458603 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Ryzhov, 1999
Ryzhov, V., Binding Energies of Chromium Cations with Fluorobenzenes from Radiative Association Kinetics, Int. J. Mass Spectrom., 1999, 185/186/187, 913. [all data]

Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M., Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives, J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034 . [all data]


Notes

Go To: Top, Ion clustering data, References