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Thymidine

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)

Quantity Value Units Method Reference Comment
Proton affinity (review)948.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity915.9kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.40 ± 0.10LPESStokes, Li, et al., 2007Vertical Detachment Energy: 0.89 eV; B

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
914.4Mezzache, Alves, et al., 2005EKM using amino acid reference bases. «DELTA»S(prot) relates to difference between transition states for dimer dissociation to yield protonated nucleotide or reference base, assummed to approximate the thermochemical «DELTA»S(prot) of the nucleotide.; MM

De-protonation reactions

C10H14N2O5- + Hydrogen cation = Thymidine

By formula: C10H14N2O5- + H+ = C10H14N2O5

Quantity Value Units Method Reference Comment
Deltar1399.0 ± 1.7kJ/molCIDCKumari, Devi, et al., 2010gas phase; The entropy of acidity values from the kinetic method given, seem unreasonably small for the structures shown - JEB; B

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Stokes, Li, et al., 2007
Stokes, S.T.; Li, X.; Grubisic, A.; Ko, Y.J.; Bowen, K.H., Intrinsic electrophilic properties of nucleosides: Photoelectron spectroscopy of their parent anions, J. Chem. Phys., 2007, 127, 8, 084321, https://doi.org/10.1063/1.2774985 . [all data]

Mezzache, Alves, et al., 2005
Mezzache, S.; Alves, S.; Pepe, C.; Qualquejeu, M.; Fournier, F.; Valery, J.M.; Tabet, J.C., Proton affinity ladder for uridine and analogs: Influence of the hydroxyl group on the sugar ring conformation, J. Mass Spectrom., 2005, 40, 722. [all data]

Kumari, Devi, et al., 2010
Kumari, S.; Devi, C.L.; Prabhakar, S.; Bhanuprakash, K.; Vairaman, M., Estimation of Gas-Phase Acidities of Deoxyribonucleosides: An Experimental and Theoretical Study, J. Am. Soc. Mass Spectrom., 2010, 21, 1, 136-143, https://doi.org/10.1016/j.jasms.2009.09.019 . [all data]


Notes

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