Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine

Johan Smets; William J. McCarthy; Ludwik Adamowicz

doi:10.1016/0009-2614(96)00453-8

Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine

Johan Smets, William J. McCarthy, Ludwik Adamowicz

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

19 Scopus citations

Abstract

We investigate electron attachment to water complexes of 1-methyl-cytosine. In all the systems considered the excess electron is bonded to the dipole field of the complex. The calculations show that in the cases of the amino-oxo tautomer with a water molecule H-bonded to the amino group and with a water molecule H-bonded to the carbonyl group, enlargement of the dipole moment due to alignment of the dipoles of the water and base molecules leads to an almost four-fold increase of the electron affinity in comparison to the isolated 1-methyl-cytosine molecule.

Original language	English (US)
Pages (from-to)	360-369
Number of pages	10
Journal	Chemical Physics Letters
Volume	256
Issue number	4-5
DOIs	https://doi.org/10.1016/0009-2614(96)00453-8
State	Published - Jul 5 1996

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/0009-2614(96)00453-8

Cite this

@article{d52d2d341fae48fe9f43aee1b5ae7781,

title = "Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine",

abstract = "We investigate electron attachment to water complexes of 1-methyl-cytosine. In all the systems considered the excess electron is bonded to the dipole field of the complex. The calculations show that in the cases of the amino-oxo tautomer with a water molecule H-bonded to the amino group and with a water molecule H-bonded to the carbonyl group, enlargement of the dipole moment due to alignment of the dipoles of the water and base molecules leads to an almost four-fold increase of the electron affinity in comparison to the isolated 1-methyl-cytosine molecule.",

author = "Johan Smets and McCarthy, {William J.} and Ludwik Adamowicz",

note = "Funding Information: We would like to thank Professor Kit Bowen to provide his results to us prior to publication, and for many helpful discussions. This work was supported by a grant from the office of Health and Environmental Research, Department of Energy, under contract No. DEFG 0393ER61605.",

year = "1996",

month = jul,

day = "5",

doi = "10.1016/0009-2614(96)00453-8",

language = "English (US)",

volume = "256",

pages = "360--369",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "4-5",

}

TY - JOUR

T1 - Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine

AU - Smets, Johan

AU - McCarthy, William J.

AU - Adamowicz, Ludwik

N1 - Funding Information: We would like to thank Professor Kit Bowen to provide his results to us prior to publication, and for many helpful discussions. This work was supported by a grant from the office of Health and Environmental Research, Department of Energy, under contract No. DEFG 0393ER61605.

PY - 1996/7/5

Y1 - 1996/7/5

N2 - We investigate electron attachment to water complexes of 1-methyl-cytosine. In all the systems considered the excess electron is bonded to the dipole field of the complex. The calculations show that in the cases of the amino-oxo tautomer with a water molecule H-bonded to the amino group and with a water molecule H-bonded to the carbonyl group, enlargement of the dipole moment due to alignment of the dipoles of the water and base molecules leads to an almost four-fold increase of the electron affinity in comparison to the isolated 1-methyl-cytosine molecule.

AB - We investigate electron attachment to water complexes of 1-methyl-cytosine. In all the systems considered the excess electron is bonded to the dipole field of the complex. The calculations show that in the cases of the amino-oxo tautomer with a water molecule H-bonded to the amino group and with a water molecule H-bonded to the carbonyl group, enlargement of the dipole moment due to alignment of the dipoles of the water and base molecules leads to an almost four-fold increase of the electron affinity in comparison to the isolated 1-methyl-cytosine molecule.

UR - http://www.scopus.com/inward/record.url?scp=0030570280&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030570280&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(96)00453-8

DO - 10.1016/0009-2614(96)00453-8

M3 - Article

AN - SCOPUS:0030570280

SN - 0009-2614

VL - 256

SP - 360

EP - 369

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-5

ER -

Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this