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The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine.
Biochem Biophys Res Commun. 1998 May 08; 246(1):228-30.BB

Abstract

The major ion formed in Negative Ion Chemical Ionization Mass Spectrometry of Adenine, Guanine, Cytosine, Uracil and Thymine is the dehydrogenated anion. The CURES EC procedure for optimizing Austin Model-1 Multiconfigurational Configuration Interaction semi-empirical calculations is applied to the electron affinities of the corresponding dehydrogenated bases and N-H bond dissociation energies. These calculated values will be compared with literature values of the gas phase acidities of the purines and pyrimidines. The N-H bond dissociation energies are about 3.95 eV for Guanine, Adenine, and Thymine and 4.08 eV for Cytosine and Uracil. The electron affinities of the radicals are AMinH = 3.50 eV, GMinH = 3.46 eV, CMinH = 3.38 eV, UMinH = 3.48 eV, TMinH = 3.46 eV.

Authors+Show Affiliations

Center for Research in Parallel Computing, Rice University, Houston, Texas 77005, USA.No affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

9600097

Citation

Chen, E S., et al. "The Electron Affinities of the Radicals Formed By the Loss of an Aromatic Hydrogen Atom From Adenine, Guanine, Cytosine, Uracil, and Thymine." Biochemical and Biophysical Research Communications, vol. 246, no. 1, 1998, pp. 228-30.
Chen ES, Chen EC, Sane N. The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine. Biochem Biophys Res Commun. 1998;246(1):228-30.
Chen, E. S., Chen, E. C., & Sane, N. (1998). The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine. Biochemical and Biophysical Research Communications, 246(1), 228-30.
Chen ES, Chen EC, Sane N. The Electron Affinities of the Radicals Formed By the Loss of an Aromatic Hydrogen Atom From Adenine, Guanine, Cytosine, Uracil, and Thymine. Biochem Biophys Res Commun. 1998 May 8;246(1):228-30. PubMed PMID: 9600097.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine. AU - Chen,E S, AU - Chen,E C, AU - Sane,N, PY - 1998/5/26/pubmed PY - 1998/5/26/medline PY - 1998/5/26/entrez SP - 228 EP - 30 JF - Biochemical and biophysical research communications JO - Biochem Biophys Res Commun VL - 246 IS - 1 N2 - The major ion formed in Negative Ion Chemical Ionization Mass Spectrometry of Adenine, Guanine, Cytosine, Uracil and Thymine is the dehydrogenated anion. The CURES EC procedure for optimizing Austin Model-1 Multiconfigurational Configuration Interaction semi-empirical calculations is applied to the electron affinities of the corresponding dehydrogenated bases and N-H bond dissociation energies. These calculated values will be compared with literature values of the gas phase acidities of the purines and pyrimidines. The N-H bond dissociation energies are about 3.95 eV for Guanine, Adenine, and Thymine and 4.08 eV for Cytosine and Uracil. The electron affinities of the radicals are AMinH = 3.50 eV, GMinH = 3.46 eV, CMinH = 3.38 eV, UMinH = 3.48 eV, TMinH = 3.46 eV. SN - 0006-291X UR - https://www.unboundmedicine.com/medline/citation/9600097/The_electron_affinities_of_the_radicals_formed_by_the_loss_of_an_aromatic_hydrogen_atom_from_adenine_guanine_cytosine_uracil_and_thymine_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0006-291X(98)98584-9 DB - PRIME DP - Unbound Medicine ER -