Concept
Homologous series
Related publications (13)
Oxidative rearrangement of 1,1-disubstituted alkenes to ketones
Qian Wang, Jieping Zhu, Qiang Feng
The Wacker process, which is widely used to convert monosubstituted alkenes into the corresponding methyl ketones, is thought to proceed through a PdII/Pd0 catalytic cycle involving a b-hydride elimination step. This mechanistic scenario is inapplicable to ...
2023Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes
Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...
Cambridge2023A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis
Controlled mixtures of novel Mg-based metal-organic frameworks (MOFs) were prepared, with H+ or K+ as counterions. A linear relation was found between synthesis pH and K/H ratio in the resultant mixture, establishing the tunability of the synthesis. Upon p ...
Royal Soc Chemistry2016Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane
The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...
American Chemical Society2016Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Bronsted Acid Sites in Zeolites
Experimental' measurements of the rate coefficient (k(app)) and apparent enthalpies and entropies of activation (Delta H-app arid Delta S-app) for alkane cracking catalyzed by acidic zeolites can be used to characterize the effects of zeolite structure and ...
American Chemical Society2015Modern computational approaches for quantifying inter- and intramolecular interactions
This thesis introduces modern computational approaches for quantifying and analyzing both intra- and intermolecular interactions. An original formalism to quantify intramolecular interactions ab initio is first introduced. Inspired from intermolecular Symm ...
EPFL2013Branched Alkanes Have Contrasting Stabilities
Matthew Wodrich, Jérôme Florian Gonthier
Bond separation reactions of highly branched alkanes are used to assess (de)stabilizing interactions associated with various 1,3-nonbonded substituent patterns. While n- and singly methylated alkanes show positive bond separation energies (BSEs), which inc ...
American Chemical Society2010Growth Modification of Seeded Calcite by Carboxylic Acid Oligomers and Polymers: Toward an Understanding of Complex Growth Mechanisms
Polycarboxylate molecules and oligomers have been investigated as growth modifiers during seeded calcite precipitation. To better understand possible molecular interactions and kinetic effects, additives with different structures and molecular weights have ...
American Chemical Society2010Overcoming systematic DFT errors for hydrocarbon reaction energies
Despite the widespread use and numerous successful applications of density functional theory, descriptions of hydrocarbon reaction energies remain problematic. Illustrative examples include large underestimation of energies associated with alkane bond sepa ...
Springer-Verlag2010Mono alkylation of alpha -isocyano acetamide to its higher homologues
Alkylation of alpha -isocyanoacetamide with alkyl halide in MeCN at 0 DegC in the presence of cesium hydroxide afforded the mono-alkylated product in good to excellent yield. [on SciFinder (R)] ...
2006