In silico investigation of ligand-regulated palladium-catalysed formic acid dehydrative decomposition to carbon monoxide {under|below|beneath} acidic {conditions|circumstances|situations} was {conducted|performed|carried out}. Two {types|kinds|varieties|sorts|forms} of bidentate tertiary phosphine ligands {were|had been|have been} {selected|chosen} {on the|around the} basis of {previous|prior|earlier|preceding} experimental study. {And the|And also the|As well as the|Along with the|Plus the} {promoting|advertising} {effect|impact} of para-toluenesulfonic acid (PTSA) was {specifically|particularly|especially} investigated. The pyridyl group implanted in pytbpx ligand is {found|discovered|identified|located} to {mainly|primarily|mostly} contribute on enhancing the activity of palladium catalyst. The PTSA promoter displays {specific|particular|certain|distinct|precise} {role|function|part} for regenerating active species and supressing dehydrogenation {during|throughout|in the course of|for the duration of|through} Pd-pytbpx/Pd-dtbpx catalysed dehydration {process|procedure|method|approach|course of action}. CO releasing {process|procedure|method|approach|course of action} catalysed by Pd-dtbpx also facilitated by adding PTSA. {According to|Based on|In accordance with|In line with|As outlined by} the mechanism hereby supposed, introducing electron-withdrawing substitution at para-position of pyridyl rings {may|might|could|may possibly|may well|may perhaps} {further|additional} {improve|enhance|boost|increase|strengthen} the dehydrative decomposition activity of Pd-pytbpx. Imino(methyl)(phenyl)-l6-sulfanone site Price of 1-Bromo-3-methylnaphthalene PMID:24463635
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