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cis and trans isomers of Ru(III)-based complexes with lapachol: X-ray diffractions and DFT theoretical insights.

Authors :
Alves, André V.
Silveira, Rafael G.
Barbosa, Marília I. F.
Ellena, Javier
Batista, Alzir A.
Corrêa, Rodrigo S.
Source :
Molecular Crystals & Liquid Crystals; 2024, Vol. 768 Issue 5, p168-179, 12p
Publication Year :
2024

Abstract

Lapachol (lap) is widely studied due to its biological application, as well as its importance in the coordination chemistry field. The structure of cis and trans isomers of new ruthenium(III) complex [RuCl<subscript>2</subscript>(PPh<subscript>3</subscript>)<subscript>2</subscript>(lap)] is reported here. The complexes present one molecule of the natural product lapachol, coordinated as bidentate by oxygen atoms, two monodentate triphenylphosphines and two chlorido ligands in a cis or trans configurations. All neutral complexes were characterized by single-crystal X-ray diffraction and these data were compared with Density Functional Theory (DFT) data results. This study highlights the stereochemistry and structural versatility of metal complexes containing lapachol as ligand. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
15421406
Volume :
768
Issue :
5
Database :
Complementary Index
Journal :
Molecular Crystals & Liquid Crystals
Publication Type :
Academic Journal
Accession number :
175980415
Full Text :
https://doi.org/10.1080/15421406.2024.2323789