Resonance-Assisted Halogen Bonds in N-Halo-Guanine Quartets

Halogenbonding gquartet

Due to cooperative effects, the total hydrogen-bond energy in guanine quartets is more stabilizing than four times the bond energy of a single guanine pair (see previous highlight). Based upon the similar bonding mechanism of hydrogen bonds and halogen bonds, researchers from the VU hypothesized that a similar cooperativity effect should be observed when the hydrogen bonds are replaced by halogen bonds in N-halo-guanine quartets.

Density functional computations show that, indeed, halogen bonds possess a similar cooperative effect, which can be even stronger than for hydrogen-bonded quartets. Thorough analyses, using several of the analysis tools available in the ADF suite, reveal that cooperativity is the result of charge transfer interactions that are present in halogen-bonded complexes.Cooperative Halogen Bonding in Guanine Quartets

Cooperative bonding interactions in N-halo-Guanine quartets

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