2018
DOI: 10.1002/slct.201800506
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Structural and Electronic Investigation of Tetrachalcogenidomolybdate Dianions

Abstract: Four compounds with tetrachalcogenidomolybdate dianions were examined under identical conditions by single crystal Xray diffraction and density functional theory (DFT) calculations. Structural comparisons of bond lengths and angles were made looking at effects of counter-cations and type of chalcogenide (S or O). Ultimately, bond lengths and angles were found to be fairly regular for each anion and in good agreement with computational results, with exceptions likely stemming from close contacts in the crystal … Show more

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