The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine

Ali Abo-Riziq; Bridgit O. Crews; Isabelle Compagnon; Jos Oomens; Gerard Meijer; Gert Von Helden; Martin Kabeláč; Pavel Hobza; Mattanjah S. De Vries

doi:10.1021/jp072183i

The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine

Ali Abo-Riziq, Bridgit O. Crews, Isabelle Compagnon, Jos Oomens, Gerard Meijer, Gert Von Helden, Martin Kabeláč, Pavel Hobza, Mattanjah S. De Vries

Division of Laboratory and Genomic Medicine

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

41 Scopus citations

Abstract

We present the mid-IR (400-1800 cm^-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.

Original language	English
Pages (from-to)	7529-7536
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	111
Issue number	31
DOIs	https://doi.org/10.1021/jp072183i
State	Published - Aug 9 2007

Access to Document

10.1021/jp072183i

Cite this

@article{e696d241a82342988dfc228688ebf9c1,

title = "The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine",

abstract = "We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.",

author = "Ali Abo-Riziq and Crews, {Bridgit O.} and Isabelle Compagnon and Jos Oomens and Gerard Meijer and {Von Helden}, Gert and Martin Kabel{\'a}{\v c} and Pavel Hobza and {De Vries}, {Mattanjah S.}",

year = "2007",

month = aug,

day = "9",

doi = "10.1021/jp072183i",

language = "English",

volume = "111",

pages = "7529--7536",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

number = "31",

}

TY - JOUR

T1 - The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine

AU - Abo-Riziq, Ali

AU - Crews, Bridgit O.

AU - Compagnon, Isabelle

AU - Oomens, Jos

AU - Meijer, Gerard

AU - Von Helden, Gert

AU - Kabeláč, Martin

AU - Hobza, Pavel

AU - De Vries, Mattanjah S.

PY - 2007/8/9

Y1 - 2007/8/9

N2 - We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.

AB - We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.

UR - http://www.scopus.com/inward/record.url?scp=34548036521&partnerID=8YFLogxK

U2 - 10.1021/jp072183i

DO - 10.1021/jp072183i

M3 - Article

C2 - 17625809

AN - SCOPUS:34548036521

SN - 1089-5639

VL - 111

SP - 7529

EP - 7536

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 31

ER -

The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine

Abstract

Access to Document

Other files and links

Fingerprint

Cite this