Duncan F. Wass
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View article: Catalytic Pyrolysis of Sinapic Acid on Nanoceria: Surface Complexes, Valorization of Products, Experimental, and Atomistic Approaches
Catalytic Pyrolysis of Sinapic Acid on Nanoceria: Surface Complexes, Valorization of Products, Experimental, and Atomistic Approaches Open
In this work, we investigated the pyrolysis of sinapic acid (SA) as a lignin S‐units model compound on the nanoceria catalyst. We employed various techniques to unravel the pyrolysis mechanism, including temperature‐programmed desorption m…
View article: Caffeic acid complexes over alumina surface: FTIR, TPD MS and DFT calculations
Caffeic acid complexes over alumina surface: FTIR, TPD MS and DFT calculations Open
Caffeic acid (CA) is a phenolic, natural, biologically active compound with pronounced antioxidant and antimicrobial properties. It has a great potential for use in medicine and cosmetology and can also be used to obtain a number of other …
View article: Backbone-functionalised ruthenium diphosphine complexes for catalytic upgrading of ethanol and methanol to iso-butanol
Backbone-functionalised ruthenium diphosphine complexes for catalytic upgrading of ethanol and methanol to iso-butanol Open
Michael addition of a variety of amines to ruthenium-coordinated 1,1-bis(diphenylphosphino)ethylene produces new backbone-functionalised ligands and catalysts that are highly effective for the Guerbet coupling of ethanol/methanol to isobut…
View article: First principles investigation of manganese catalyst structure and coordination in the <i>p</i>-xylene oxidation process
First principles investigation of manganese catalyst structure and coordination in the <i>p</i>-xylene oxidation process Open
The oxidation of p -xylene to terephtalic acid is important for the production of polyethylene terephthalate (PET). This work investigates the coordination of the Mn catalyst species under operating conditions.
View article: CCDC 2235640: Experimental Crystal Structure Determination
CCDC 2235640: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2235638: Experimental Crystal Structure Determination
CCDC 2235638: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2235639: Experimental Crystal Structure Determination
CCDC 2235639: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Control in Advanced Biofuels Synthesis via Alcohol Upgrading: Catalyst Selectivity to <i>n</i>‐Butanol, <i>sec</i>‐Butanol or Isobutanol
Control in Advanced Biofuels Synthesis via Alcohol Upgrading: Catalyst Selectivity to <i>n</i>‐Butanol, <i>sec</i>‐Butanol or Isobutanol Open
Ruthenium complexes with tetradentate PNNP donor ligands demonstrate a marked change in selectivity compared to analogous bis bidentate PN complexes in Guerbet catalysis, producing mixtures of n ‐butanol (17 %), sec ‐butanol (14 %) and eth…
View article: CCDC 2162103: Experimental Crystal Structure Determination
CCDC 2162103: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Heterometathesis of diphosphanes (R<sub>2</sub>P–PR<sub>2</sub>) with dichalcogenides (R′E–ER′, E = O, S, Se, Te)
Heterometathesis of diphosphanes (R<sub>2</sub>P–PR<sub>2</sub>) with dichalcogenides (R′E–ER′, E = O, S, Se, Te) Open
The reactions of R 2 P–PR 2 with R′E–ER′ (where E = Se, S, O, Te) to give R 2 P–ER′ have been explored experimentally and computationally. 31 P NMR evidence suggests that Mo(0) complexes of Ph 2 P–SePh feature P- and Se- linkage isomers.
View article: CCDC 2072199: Experimental Crystal Structure Determination
CCDC 2072199: Experimental Crystal Structure Determination Open
View article: CCDC 2072201: Experimental Crystal Structure Determination
CCDC 2072201: Experimental Crystal Structure Determination Open
View article: CCDC 2072200: Experimental Crystal Structure Determination
CCDC 2072200: Experimental Crystal Structure Determination Open
View article: Rhenium Complexes Bearing Tridentate and Bidentate Phosphinoamine Ligands in the Production of Biofuel Alcohols via the Guerbet Reaction
Rhenium Complexes Bearing Tridentate and Bidentate Phosphinoamine Ligands in the Production of Biofuel Alcohols via the Guerbet Reaction Open
We report a variety of rhenium complexes supported by bidentate and tridentate phosphinoamine ligands and their use in the formation of the advanced biofuel isobutanol from methanol and ethanol. Rhenium pincer complexes 1-3 a…
View article: Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies
Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies Open
The mechanism by which P,P-exchange reactions can occur rapidly under ambient conditions has been investigated and the experimental evidence, combined with computational studies, support a radical process.
View article: CCDC 2012434: Experimental Crystal Structure Determination
CCDC 2012434: Experimental Crystal Structure Determination Open
View article: CCDC 2012433: Experimental Crystal Structure Determination
CCDC 2012433: Experimental Crystal Structure Determination Open
View article: Manganese Diphosphine and Phosphinoamine Complexes Are Effective Catalysts for the Production of Biofuel Alcohols <i>via</i> the Guerbet Reaction
Manganese Diphosphine and Phosphinoamine Complexes Are Effective Catalysts for the Production of Biofuel Alcohols <i>via</i> the Guerbet Reaction Open
We report a variety of manganese-based catalysts containing both chelating diphosphine (bis(diphenylphosphino)methane (dppm: 1, 2, and 7) or 1,2-bis(diphenylphosphino)ethane (dppe: 3)), and mixed-donor phosphino…
View article: CCDC 1950781: Experimental Crystal Structure Determination
CCDC 1950781: Experimental Crystal Structure Determination Open
View article: CCDC 1950779: Experimental Crystal Structure Determination
CCDC 1950779: Experimental Crystal Structure Determination Open
View article: CCDC 1950780: Experimental Crystal Structure Determination
CCDC 1950780: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1898436: Experimental Crystal Structure Determination
CCDC 1898436: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1898435: Experimental Crystal Structure Determination
CCDC 1898435: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation
Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation Open
The catalytic activity of tris(3,4,5-trifluorophenyl)borane has been explored in the 1,2-hydroboration reactions of unsaturated substrates.
View article: How Important Are Radical Mechanisms in Frustrated Lewis Pair Chemistry?
How Important Are Radical Mechanisms in Frustrated Lewis Pair Chemistry? Open
View article: Thermally induced reversible and reprogrammable actuation of tough hydrogels utilising ionoprinting and iron coordination chemistry
Thermally induced reversible and reprogrammable actuation of tough hydrogels utilising ionoprinting and iron coordination chemistry Open
Ionoprinting has proven itself as a technique capable of enabling repeated post-synthesis programming of hydrogels into a variety of different shapes, achieved through a variety of different actuation pathways. To date, the technique of io…
View article: CCDC 1483371: Experimental Crystal Structure Determination
CCDC 1483371: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1483372: Experimental Crystal Structure Determination
CCDC 1483372: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1535513: Experimental Crystal Structure Determination
CCDC 1535513: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1483373: Experimental Crystal Structure Determination
CCDC 1483373: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …