The electron affinities of deprotonated adenine, guanine, cytosine, uracil, and thymine.
Electron attachment rates and gas phase acidities for the canonical tautomers of the nucleobases and electron affinities for thymine, deprotonated thymine, and cytosine are reported The latter are from a new analysis of published photoelectron spectra. The values for deprotonated thymine are (all in eV) keto-N1-H, 3.327(5); enol-N3-H, 3.250(5), enol-C2OH, 3.120(5) enol-N1-H, 3.013(5), and enol-C4OH,3.123(5). The values for deprotonated cytosine, keto-N1-H, 3.184(5); trans-NH-H, 3.008(5); cis-NH-H, 3.039(5); and enol-N1-H, 2.750(5) and enol-O-H, 2.950(5). The gas phase acidities from these values are obtained from these values using experimental or theoretical calculations of bond dissociation energies. Kinetic and thermodynamic properties for thermal electron attachment to thymine are obtained from mass spectrometric data. We report an activation energy of 0.60 eV and electron affinity of thymine, 1.0(1) eV.
University of Houston Clear Lake, The Wentworth Foundation, Houston, TX 77025, USA. edcmchen@gmail.com
Edward C M
EC
Chen
John R
JR
Wiley
Edward S
ES
Chen
D000225:Adenine / Q000737:chemistry; D003596:Cytosine / Q000737:chemistry; D004583:Electrons; D008401:Gas Chromatography-Mass Spectrometry; D005740:Gases; D006147:Guanine / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D007700:Kinetics; D008956:Models, Chemical; D010777:Photochemistry; D011522:Protons; D011687:Purines / Q000737:chemistry*; D011743:Pyrimidines / Q000737:chemistry*; D013816:Thermodynamics; D013941:Thymine / Q000737:chemistry; D014498:Uracil / Q000737:chemistry
D005740:Gases; D011522:Protons; D011687:Purines; D011743:Pyrimidines; D014498:Uracil; D006147:Guanine; D003596:Cytosine; D000225:Adenine; D013941:Thymine; C030985:purine