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Published in 2024 at "Inorganic Chemistry"
DOI: 10.1021/acs.inorgchem.4c02752
Abstract: Semilocal and random phase approximation (RPA) density functional theory (DFT) and complete active space (CASSCF + NEVPT2) methodologies were applied to investigate a new class of extended metal atom chain (EMAC) complexes. A novel triferrous…
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Keywords:
atom chain;
metal atom;
extended metal;
symmetry breaking ... See more keywords
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Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt03103e
Abstract: We provide definitive experimental proof that the archetypal string-like compound [Cr5(tpda)4(NCS)2] has alternating long and short Cr-Cr separations in the solid state, as conjectured by F. A. Cotton, rather than essentially equally spaced Cr atoms,…
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Keywords:
structure pentachromium;
pentachromium extended;
atom chain;
cotton ... See more keywords