Mechanism of ethylene oxychlorination on ceria

M Scharfe, M Capdevila-Cortada, VA Kondratenko… - ACS …, 2018 - ACS Publications
Ethylene oxychlorination on CeO2 provides ethylene dichloride (EDC) and the desired vinyl
chloride (VCM) in a single operation, in contrast to the traditional process that requires two …

Electrophile affinity: a reactivity measure for aromatic substitution

G Koleva, B Galabov, JI Wu… - Journal of the …, 2009 - ACS Publications
The reactivity and regioselectivity of the electrophilic chlorination, nitration, and alkylation of
benzene derivatives were rationalized by comparing literature data for the partial rate factors …

New cross-bridged cyclam derivative CB-TE1K1P, an improved bifunctional chelator for copper radionuclides

D Zeng, Q Ouyang, Z Cai, XQ Xie… - Chemical …, 2014 - pubs.rsc.org
A new cross-bridged cyclam chelator, CB-TE1K1P, was developed for copper-based
radiopharmaceuticals, and this chelator can be labelled with 64Cu under mild conditions in …

Syntheses, electronic structures, and EPR/UV− Vis− NIR spectroelectrochemistry of nickel (II), copper (II), and zinc (II) complexes with a Tetradentate ligand based on …

VB Arion, P Rapta, J Telser, SS Shova… - Inorganic …, 2011 - ACS Publications
Template condensation of 3, 5-di-tert-butyl-2-hydroxybenzaldehyde S-
methylisothiosemicarbazone with pentane-2, 4-dione and triethyl orthoformate at elevated …

Novel tailoring reaction for two adjacent coordinated nitriles giving platinum 1, 3, 5-triazapentadiene complexes

PV Gushchin, MR Tyan, NA Bokach… - Inorganic …, 2008 - ACS Publications
The tailoring reaction of the two adjacent nitrile ligands in cis-[PtCl2 (RCN) 2](R= Me, Et,
CH2Ph, Ph) and [Pt (tmeda)(EtCN) 2][SO3CF3] 2 (8·(OTf) 2; tmeda= N, N, N′, N …

First-Principles Prediction of the pKas of Anti-inflammatory Oxicams

J Ho, ML Coote, M Franco-Perez… - The Journal of …, 2010 - ACS Publications
The gas-and aqueous-phase acidities of a series of oxicams have been computed by
combining M05-2X/6-311+ G (3df, 2p) gas-phase free energies with solvation free energies …

DFT study of the single electron transfer mechanisms in Ni-Catalyzed reductive cross-coupling of aryl bromide and alkyl bromide

Q Ren, F Jiang, H Gong - Journal of Organometallic Chemistry, 2014 - Elsevier
Ni-catalyzed reductive cross-coupling reactions of electrophilic regents provide an important
method to form C–C bonds. The present study explored several single electron transfer …

Ligands for dinitrogen fixation at Schrock-type catalysts

S Schenk, M Reiher - Inorganic chemistry, 2009 - ACS Publications
Catalytic dinitrogen reduction with the Schrock complex is still hampered by low turn-over
numbers that are likely to result from a degradation of the chelate ligand. In this work, we …

Oxidation of substituted triazines by sulfate radical anion (SO) in aqueous medium: A laser flash photolysis and steady state radiolysis study

P Manoj, KP Prasanthkumar, VM Manoj… - Journal of Physical …, 2007 - Wiley Online Library
Laser flash photolysis has been used to determine the bimolecular rate constants and the
spectral nature of the intermediates obtained by the reaction of sulfate radical anion (SO) …

Redefinition of Rubisco carboxylase reaction reveals origin of water for hydration and new roles for active-site residues

B Kannappan, JE Gready - Journal of the American Chemical …, 2008 - ACS Publications
Crystallographic, mutagenesis, kinetic, and computational studies on Rubisco over three
decades have revealed much about its catalytic mechanism and the role played by several …