Energy decomposition analysis (EDA) methods bridge the gap between electronic structure
calculations and conceptual interpretations of molecular interactions. The recently …

Nonlinear optical materials have been investigated recently due to their potential
technological applications in information storage and communications. In this context, semi …

Context Xanthates are organic compounds that present great interest for coordination
chemistry, because they can bond in different ways to the metal ion. Thus, these compounds …

Heavy metals have been widely discussed as a significant cause of environmental disasters
in recent decades. One of the main focuses has been exploring agents and mechanisms …

Methods The structures of the mononuclear and polymeric complexes were optimized in
vacuum and n-hexane. Under vacuum, DFT levels M06L/6–311++ G**+ LANL2TZ and …

Abstract Context 1, 3-Dithiole-2-thione-4, 5-dithiolate (dmit) ligands are known for their
conductive and optical properties. Dmit compounds have been assessed for use in sensor …

Metal-dmit complexes and related compounds have been studied extensively over the last
few decades. Experimental reports of its UV-Vis spectra present the main spectroscopic …

As a useful flotation agent, the xanthate ligand, O-alkyldithiocarbonates, has been used by
different countries by its easy and inexpensive synthesis. More recently papers explored …