Crystal Structure and Chemical Bonds in [Cu^II₂(Tolf)₄(MeOH)₂]∙2MeOH.

ABSTRACT: A new coordination compound of copper(II) with a tolfenamate ligand of the paddle-wheel-like structure [Cu^II₂(Tolf)₄(MeOH)₂]∙2MeOH was obtained and structurally characterized. Chemical bonds of Cu(II)∙∙∙Cu(II) and Cu(II)-O were theoretically analyzed and compared with the results for selected similar structures from the CSD database. QTAIM analysis showed that the Cu(II)∙∙∙Cu(II) interaction has a strength comparable to a hydrogen bond, as indicated by the electron density at a critical point. The remaining QTAIM parameters indicate stability of the Cu(II)∙∙∙Cu(II) interaction. Other methods, such as NCI and NBO, also indicate a significant strength of this interaction. Thus, the Cu(II)∙∙∙Cu(II) interaction can be treated as one of the noncovalen

SUBMITTER: Majerz I 

PROVIDER: S-EPMC9864235 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature