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

Research output: Contribution to journal › Article › peer-review

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

Access to Document

10.1016/j.cplett.2005.11.117

Cite this

@article{d8ffe5f87b4e44ffbb345c122fde0ed8,

title = "The electron bonded cytosine-guanine complex",

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.",

author = "Jalbout, \{Abraham F.\} and Ludwik Adamowicz",

year = "2006",

month = mar,

day = "10",

doi = "10.1016/j.cplett.2005.11.117",

language = "English (US)",

volume = "420",

pages = "221--224",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "1-3",

}

TY - JOUR

T1 - The electron bonded cytosine-guanine complex

AU - Jalbout, Abraham F.

AU - Adamowicz, Ludwik

PY - 2006/3/10

Y1 - 2006/3/10

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/33344457275

UR - https://www.scopus.com/pages/publications/33344457275#tab=citedBy

U2 - 10.1016/j.cplett.2005.11.117

DO - 10.1016/j.cplett.2005.11.117

M3 - Article

AN - SCOPUS:33344457275

SN - 0009-2614

VL - 420

SP - 221

EP - 224

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

The electron bonded cytosine-guanine complex

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this