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Issue 13, 2017
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Prediction of strong O–H/M hydrogen bonding between water and square-planar Ir and Rh complexes

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Abstract

Intermolecular O–H/M interactions, between a water molecule and square-planar acac complexes ([M(acac)L2]), with different types of L ligands (en, H2O, CO, CN, and OH) and different types of metal atoms (Ir(I), Rh(I), Pt(II), and Pd(II)) were studied by high level ab initio calculations. Among the studied neutral complexes, the [Pd(acac)(CN)(CO)] complex forms the weakest interaction, −0.62 kcal mol−1, while the [Ir(acac)(en)] complex forms the strongest interaction, −9.83 kcal mol−1, which is remarkably stronger than the conventional hydrogen bond between two water molecules (−4.84 kcal mol−1).

Graphical abstract: Prediction of strong O–H/M hydrogen bonding between water and square-planar Ir and Rh complexes

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Publication details

The article was received on 23 Dec 2016, accepted on 06 Mar 2017 and first published on 07 Mar 2017


Article type: Communication
DOI: 10.1039/C6CP08796E
Citation: Phys. Chem. Chem. Phys., 2017,19, 8657-8660
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    Prediction of strong O–H/M hydrogen bonding between water and square-planar Ir and Rh complexes

    G. V. Janjić, M. D. Milosavljević, D. Ž. Veljković and S. D. Zarić, Phys. Chem. Chem. Phys., 2017, 19, 8657
    DOI: 10.1039/C6CP08796E

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