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Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3

Lookup NU author(s): Dr Maria Amo Achoa, Dr Ross Harrington, Professor Felix Zamora

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Abstract

Reactions between [Rh-2(CH3COO)(4)] with 2,6-diaminopurine (HDap) or 6-chloro-2-aminopurine (HClap) and [Rh-2((CH3)(3)CCOO)(4)] with HClap produce, three new dirhodium(II) carboxylate complexes of the general form, [Rh-2(RCOO)(4)(Purine)(2)] (R= CH3, (CH3)(3)C). Single crystal X-ray diffraction studies confirm that in all cases the purine coordinates to the axial position of the dirhodium(II)tetracarboxylate unit. However, while the complex obtained with HDap features the typical purine binding mode via N(7), complexes containing HClap show unusual N3 coordination. This is an extremely rare instance of an unrestricted purine binding via N3. Some rationalization of these data is offered based on a series of DFT calculations.

Publication metadata

Author(s): Amo-Ochoa P, Castillo O, Harrington RW, Zamora F, Houton A

Publication type: Article

Publication status: Published

Journal: Inorganic Chemistry

Year: 2013

Volume: 52

Issue: 4

Pages: 2174-2181

Print publication date: 01/02/2013

ISSN (print): 0020-1669

ISSN (electronic): 1520-510X

Publisher: American Chemical Society

URL: http://dx.doi.org/10.1021/ic302602c

DOI: 10.1021/ic302602c

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