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Title: [Cu(mu-MeCO2)(2)(4-Bzpy)](2) (4-Bzpy=4-benzylpyridine): Study of the intermolecular C-H···O hydrogen bonds at two temperatures
Author: Soldevila-Sanmartín, Joan
Sánchez-Sala, M.
Calvet Pallàs, Maria Teresa
Font Bardia, Ma. Mercedes
Ayllón, J. A.
Pons, Josefina
Keywords: Materials porosos
Estructura cristal·lina (Sòlids)
Porous materials
Layer structure (Solids)
Issue Date: 5-Nov-2018
Publisher: Elsevier B.V.
Abstract: [Cu(μ-MeCO2)2(4-Bzpy)]2 (4-Bzpy = 4-benzylpyridine) has been synthesized by reaction of [Cu(μ-MeCO2)2(H2O)]2 with 4-Bzpy in methanol at room temperature. The compound was characterized by Elemental Analysis, ATR-FTIR and X-ray Powder Diffraction. The molecular structure was determined by single crystal X-ray diffraction analysis at 100 K and 303 K. The compound consists of binuclear units where both Cu(II) atoms are linked by four syn-syn carboxylate bridges, showing a paddle-wheel unit. The role of CH⋯O hydrogen bonds in the establishment of its supramolecular network is discussed, comparing the resulting structural parameters at the two different temperatures. Finally, the thermal variation of XpT for compound 1 has also been studied, suggesting an antiferromagnetic Cu⋯Cu interaction (J = −311 cm−1), which agrees with the presence of four μ-κO-κO′ carboxylates bridging the metallic centers in the binuclear complex.
Note: Versió postprint del document publicat a:
It is part of: Journal of Molecular Structure, 2018, vol. 1171, p. 808-814
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ISSN: 0022-2860
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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