The electron bonded cytosine-guanine complex

Abraham F. Jalbout; Ludwik Adamowicz

doi:10.1016/j.cplett.2005.11.117

The electron bonded cytosine-guanine complex

Abraham F. Jalbout, Ludwik Adamowicz

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2 Scopus citations

Abstract

In this work, we have performed quantum chemical calculations on a new form of the guanine-cytosine anion, in which the excess electron is suspended between the two systems. The vertical detachment energy calculations performed with the MP2 method yield a value of 0.40 eV, showing a stability relative to the addition of this excess electron. The effects of removing the excess electron are also presented, whereby a significant change in the structure occurs. In these geometry optimizations of the neutral structure initiated with geometry of the anion, we obtain a hydrogen-bonded dimer with energy lower than the anion.

Original language	English (US)
Pages (from-to)	221-224
Number of pages	4
Journal	Chemical Physics Letters
Volume	420
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.11.117
State	Published - Mar 10 2006

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2005.11.117

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AB - In this work, we have performed quantum chemical calculations on a new form of the guanine-cytosine anion, in which the excess electron is suspended between the two systems. The vertical detachment energy calculations performed with the MP2 method yield a value of 0.40 eV, showing a stability relative to the addition of this excess electron. The effects of removing the excess electron are also presented, whereby a significant change in the structure occurs. In these geometry optimizations of the neutral structure initiated with geometry of the anion, we obtain a hydrogen-bonded dimer with energy lower than the anion.

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JO - Chemical Physics Letters

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The electron bonded cytosine-guanine complex

Abstract

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