2,2'-Bipyridine, 4,4'-dimethyl-


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
Δfgas50.02 ± 0.98kcal/molCcbRibeiro da Silva, Matos, et al., 1997 

Condensed 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
Δfsolid26.20 ± 0.81kcal/molCcbRibeiro da Silva, Matos, et al., 1997 
Quantity Value Units Method Reference Comment
Δcsolid-1564.7 ± 0.72kcal/molCcbRibeiro da Silva, Matos, et al., 1997 

Phase change 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δsub23.8 ± 0.55kcal/molCRibeiro da Silva, Matos, et al., 1997ALS
Δsub23.8 ± 0.55kcal/molCRibeiro da Silva, Matos, et al., 1997, 2AC
Δsub23.8kcal/molN/AN/ADRB

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:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
>227.3Oresmaa, Haukka, et al., 2002GB > Triethylamine. Paper reports PAs although kinetics bracket GBs; authors assume negligible ΔS of PT reactions. Uncertainty is half the GB difference between bracketing bases.; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.2PEDobson, Hillier, et al., 1983LBLHLM
8.53 ± 0.03PEDobson, Hillier, et al., 1983Vertical value; LBLHLM

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 .


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 GFS Chemicals / NIST MS Data Center.
NIST MS number 125332

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.


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, Matos, et al., 1997
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; do Rio, C.M.A.; Morais, V.M.F., Thermochemical and theoretical studies of 4-methylbiphenyl, 4,4'-dimethylbiphenyl, 4,4'-dimethyl-2,2'-bipyridine, J. Chem. Soc. Farad. Trans, 1997, 93, 3061. [all data]

Ribeiro da Silva, Matos, et al., 1997, 2
Ribeiro da Silva, Manuel A.V.; Matos, Agostinha R.; do Rio, Carolina M.A.; Morais, Victor M.F., Thermochemical and theoretical studies of 4-methylbiphenyl, 4,4´-dimethylbiphenyl, 4,4´-dimethyl-2,2´-bipyridine, Faraday Trans., 1997, 93, 17, 3061-3065, https://doi.org/10.1039/a701769c . [all data]

Oresmaa, Haukka, et al., 2002
Oresmaa, L.; Haukka, M.; Vainiotalo, P.; Pakkanen, T.A., Ab intio calculations and mass spectrometric determination of the gas phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines, J. Org. Chem., 2002, 67, 8216. [all data]

Dobson, Hillier, et al., 1983
Dobson, B.; Hillier, I.H.; Connor, J.A.; Moncrieff, D.; Scanlan, M.L.; Garner, C.D., Electronic structure and low-energy photoelectron spectra of 4,4'-disubstituted 2,2'-bipyridines, J. Chem. Soc. Faraday Trans. 2, 1983, 79, 295. [all data]


Notes

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