Spectroscopic studies of proton transfer in hydrogen bonding: Adenine complexed to HCl

A. Dkhissi; L. Houben; L. Adamowicz; G. Maes

doi:10.1016/j.cplett.2004.02.031

Spectroscopic studies of proton transfer in hydrogen bonding: Adenine complexed to HCl

A. Dkhissi
, L. Houben
, L. Adamowicz
, G. Maes

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

8 Scopus citations

Abstract

The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N₁⁺-H⋯Cl^-⋯H-NH; N ₃⁺-H⋯Cl^-⋯H-N₉ and N₇⁺-H⋯Cl^-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.

Original language	English (US)
Pages (from-to)	362-366
Number of pages	5
Journal	Chemical Physics Letters
Volume	387
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2004.02.031
State	Published - Apr 1 2004

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2004.02.031

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title = "Spectroscopic studies of proton transfer in hydrogen bonding: Adenine complexed to HCl",

abstract = "The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N1+-H⋯Cl-⋯H-NH; N 3+-H⋯Cl-⋯H-N9 and N7+-H⋯Cl-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.",

author = "A. Dkhissi and L. Houben and L. Adamowicz and G. Maes",

note = "Funding Information: A.D. and L.H. acknowledge financial support from KULeuven. ",

year = "2004",

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doi = "10.1016/j.cplett.2004.02.031",

language = "English (US)",

volume = "387",

pages = "362--366",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Spectroscopic studies of proton transfer in hydrogen bonding

T2 - Adenine complexed to HCl

AU - Dkhissi, A.

AU - Houben, L.

AU - Adamowicz, L.

AU - Maes, G.

N1 - Funding Information: A.D. and L.H. acknowledge financial support from KULeuven.

PY - 2004/4/1

Y1 - 2004/4/1

N2 - The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N1+-H⋯Cl-⋯H-NH; N 3+-H⋯Cl-⋯H-N9 and N7+-H⋯Cl-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.

AB - The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N1+-H⋯Cl-⋯H-NH; N 3+-H⋯Cl-⋯H-N9 and N7+-H⋯Cl-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.

UR - https://www.scopus.com/pages/publications/1642267350

UR - https://www.scopus.com/pages/publications/1642267350#tab=citedBy

U2 - 10.1016/j.cplett.2004.02.031

DO - 10.1016/j.cplett.2004.02.031

M3 - Article

AN - SCOPUS:1642267350

SN - 0009-2614

VL - 387

SP - 362

EP - 366

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Spectroscopic studies of proton transfer in hydrogen bonding: Adenine complexed to HCl

Abstract

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