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Charge transfer interactions between nucleic acid bases and strong acceptors
Author(s) -
Sheina G. G.,
Radchenko E. D.,
Egupov S. A.,
Blagoy Yu. P.,
Orlov V. M.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160218
Subject(s) - chemistry , molecule , acceptor , excited state , tetracyanoquinodimethane , ionization energy , ion , uracil , dissociation (chemistry) , photochemistry , ionization , pyrimidine , radical , computational chemistry , stereochemistry , atomic physics , organic chemistry , dna , biochemistry , physics , condensed matter physics
The regularities of the donor‐acceptor interaction of nucleic acid bases and some of their derivatives with the strong acceptor 7,7,8,8‐tetracyanoquinodimethane (TCNQ) in thin amorphous films at 77 K were studied using UV and visible spectroscopy. Purine and pyrimidine bases are shown to form charge transfer TCNQ complexes whose band energies h ν ct = I p − E A − ( H * − H 0 ) are linearly dependent of the donor ionization potential I p . Calculated differences between the interaction energies of uncharged molecules and ion radicals, Δ E ≈ 3.0 eV, are in good agreement with experimental variations of the complex dissociation energies in the ground and excited states, ( H * − H 0 ) = 2.73 eV. Annealing of the films of complexes containing cytosine, 1‐methylcytosine, uracil, and caffeine leads to ordering of their structure and the formation of ion radical salts.