Triplet Spin-State Capped Deltahedral Structures Rather than Singlet Spin-State Oblatocloso Structures as Energetically Favored Dimanganaborane Structures.
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DOI: 10.1021/acs.inorgchem.2c02936
Abstract: Density functional studies show that the singlet spin-state flattened oblatocloso deltahedral structures found experimentally in the dimetallaboranes Cp*2Re2Bn-2Hn-2 (Cp* = Me5C5; n = 8-12) of the third row group 7 element rhenium are not favored… read more here.
Keywords: state; cp2mn2bn 2hn; spin state; singlet spin ... See more keywords