Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

M. Doskocz; A. Strupinska; S. Roszak; M. Prokopowicz; P. Kafarski

doi:10.1007/s00894-009-0473-6

Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

M. Doskocz, A. Strupinska, S. Roszak, M. Prokopowicz, P. Kafarski

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

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Abstract

The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.

Original language	English
Pages (from-to)	651-658
Journal	Journal of Molecular Modeling
Volume	15
Issue number	6
DOIs	https://doi.org/10.1007/s00894-009-0473-6
Publication status	Published - 2009
Externally published	Yes

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title = "Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives",

abstract = "The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. {\textcopyright} springer-Verlag 2009.",

author = "M. Doskocz and A. Strupinska and S. Roszak and M. Prokopowicz and P. Kafarski",

year = "2009",

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T1 - Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

AU - Doskocz, M.

AU - Strupinska, A.

AU - Roszak, S.

AU - Prokopowicz, M.

AU - Kafarski, P.

PY - 2009

Y1 - 2009

N2 - The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.

AB - The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.

U2 - 10.1007/s00894-009-0473-6

DO - 10.1007/s00894-009-0473-6

M3 - Article

C2 - 19238462

SN - 1610-2940

VL - 15

SP - 651

EP - 658

JO - Journal of Molecular Modeling

JF - Journal of Molecular Modeling

IS - 6

ER -

Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

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