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Issue 7, 2009
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Experimental and computational evidence of solid-state anion–π and π–π interactions in [VO(O2)(L)(pa)]·xH2O complexes (L = picolinate, pyrazinate or quinolinate; pa = picolinamide)

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Abstract

Two new neutral monoperoxidovanadium(V) complexes [VO(O2)(L)(pa)]·xH2O have been synthesized: [VO(O2)(pic)(pa)]·H2O (1) and [VO(O2)(Hquin)(pa)]·2H2O (2) [pic: pyridine-2-carboxylato(1–) or picolinato(1–), Hquin: pyridine-2,3-dicarboxylato(1–) or quinolinato(1–), and pa: picolinamide]. The solid state structures of 1 and 2 feature a typical distorted pentagonal bipyramid coordination polyhedron around the central vanadium atoms. The bidentate anionic ligands are coordinated in two equatorial positions, while the bidentate picolinamide molecule is bound via the aromatic nitrogen and the carboxamide oxygen in one equatorial and one apical position. The experimental geometric parameters were used for a detailed study of intermolecular interactions between the pic–pic and pa–pa aromatic rings in 1. Interestingly, no π–π interactions were observed between the pyridine rings of Hquin or pa in 2, however, the less common anion–π solid-state interactions were found between the pic ligands in 1 and pca [pca = pyrazinecarboxylato(1–)] ligands in the already published structure of the related complex [VO(O2)(pca)(pa)]·H2O (3). The presence of anion–π and π–π interactions in 1 and 3 was confirmed by DFT computations performed on their solid-state structures. Computational results suggested a direct analogy between anion–π and π–π interactions, both being of predominantly electrostatic character.

Graphical abstract: Experimental and computational evidence of solid-state anion–π and π–π interactions in [VO(O2)(L)(pa)]·xH2O complexes (L = picolinate, pyrazinate or quinolinate; pa = picolinamide)

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Supplementary files

Article information


Submitted
12 Nov 2008
Accepted
11 Feb 2009
First published
23 Mar 2009

New J. Chem., 2009,33, 1515-1522
Article type
Paper

Experimental and computational evidence of solid-state anion–π and π–π interactions in [VO(O2)(L)(pa)]·xH2O complexes (L = picolinate, pyrazinate or quinolinate; pa = picolinamide)

R. Gyepes, S. Pacigová, M. Sivák and J. Tatiersky, New J. Chem., 2009, 33, 1515
DOI: 10.1039/B819875F

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