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Dalton transactions (Cambridge, England : 2003)

Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.


PMID 26080003

Abstract

Distinct batches of orange (1a-e) and green crystals (2a-e) were isolated from the reactions of MoCl5 with tetrahydropyran (thp), respectively at room temperature (in CH2Cl2) and at ca. 80 °C (in ClCH2CH2Cl). Crystals 2a-e are isomorphous to 1a-e and the IR spectra are almost superimposable. 1a-e were identified by X-ray studies as cis-MoCl4(thp)2, in agreement with previous findings. Careful refinement of the X-ray data of 2a-e by modeling one position as disordered between chlorine (minor component) and oxygen (major component) led to the conclusion that 2a-e consisted of a mixture of cis-MoCl4(thp)2 and mer-MoOCl3(thp)2, the latter being largely prevalent.

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293105
Tetrahydropyran, anhydrous, 99%
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