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| - H−Bonding Patterns in the Platinated Guanine−CytosineBase Pair and Guanine−Cytosine−Guanine−Cytosine BaseTetrad: an Electron Density Deformation Analysis and AIMStudy
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| - The atoms in molecule theory (AIM) and electronic structure analysis are applied together toinvestigate H-bonding patterns in metalated nucleobase complexes. The influence of Pt on the intra GCbase pair H-bonding has been found to reduce intra base pair H-bonding of N4(C)···O6(G) in the platinatedGC pair and GCGC tetrad. The relaxation of geometry constrains in metalated nucleobases is found to bedecisively important in the formation of novel molecular architectures from nucleobases and metal entities.The incorporation of the platinum in the GCGC tetrad benefits the formation of the unique CH···N (H5(C)···N1(G)) hydrogen bond pattern in the tetrad by offering improved geometric constraints rather thanthrough changing the electronic properties around the H5(C) and N1(G) sites. Platination at the N7 ofguanine reduces the deprotonation energy considerably.
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