6533b7dbfe1ef96bd1270cbe
RESEARCH PRODUCT
Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system
Giampaolo BaroneGianfranco La MannaRenato BarbieriMarina Cotta Ramusinosubject
ChemistryMolecular models of DNAchemistry.chemical_elementequipment and suppliesCondensed Matter PhysicsBiochemistryOrganotin moietychemistry.chemical_compoundCrystallographyOxygen atomSettore CHIM/03 - Chimica Generale E InorganicaComputational chemistryMössbauer spectroscopyDNA modelMoleculeMoietyPM3 calculationPhysical and Theoretical ChemistryTinDNAdescription
Abstract The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the electron-donor centres of DD, requiring in some cases the presence of water molecules. In particular, the binding of the dimethyltin(IV) moiety with two adjacent phosphate oxygen atoms is allowed by the presence of water molecules coordinating to the tin atom. In this case the tin environment shows a geometry in agreement with 119 Sn Mossbauer and X-ray data.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-09-01 | Journal of Molecular Structure: THEOCHEM |