Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions

GJ Cheng, X Zhang, LW Chung, L Xu… - Journal of the American …, 2015 - ACS Publications
Understanding the mechanisms of chemical reactions, especially catalysis, has been an
important and active area of computational organic chemistry, and close collaborations …

Target-oriented analysis of gaseous, liquid and solid chemical systems by mass spectrometry, nuclear magnetic resonance spectroscopy and electron microscopy

VV Kachala, LL Khemchyan, AS Kashin… - Russian Chemical …, 2013 - iopscience.iop.org
In the present review we describe the emerging tendency for creating target-oriented
analytical approaches designed to solve important chemical tasks by using a combination of …

General Olefin Synthesis by the Palladium‐Catalyzed Heck Reaction of Amides: Sterically Controlled Chemoselective N C Activation

G Meng, M Szostak - Angewandte Chemie, 2015 - Wiley Online Library
Metal‐catalyzed reactions of amides proceeding via metal insertion into the N CO bond
are severely underdeveloped due to resonance stabilization of the amide bond. Herein we …

Sterically controlled Pd-catalyzed chemoselective ketone synthesis via N–C cleavage in twisted amides

G Meng, M Szostak - Organic letters, 2015 - ACS Publications
Highly chemoselective, palladium (0)-catalyzed, direct cross-coupling between boronic
acids and geometrically activated amides is reported. The reaction proceeds via selective …

Activation of peroxymonosulfate by magnetic carbon supported Prussian blue nanocomposite for the degradation of organic contaminants with singlet oxygen and …

F Guo, K Wang, J Lu, J Chen, X Dong, D Xia, A Zhang… - Chemosphere, 2019 - Elsevier
In order to develop efficient and green catalyst for organic pollutants removal, magnetic
carbon supported Prussian blue nanocomposite Fe 3 O 4@ C/PB was prepared for the first …

On catalysis by ionic liquids

AK Chakraborti, SR Roy - Journal of the American Chemical …, 2009 - ACS Publications
A molecular level mechanism of catalysis by an ionic liquid (IL) is proposed as an
“electrophile nucleophile dual activation” through a “relay of cooperative hydrogen bonds …

Palladium-catalyzed Suzuki–Miyaura coupling of amides by carbon–nitrogen cleavage: general strategy for amide N–C bond activation

G Meng, M Szostak - Organic & Biomolecular Chemistry, 2016 - pubs.rsc.org
The first palladium-catalyzed Suzuki–Miyaura cross-coupling of amides with boronic acids
for the synthesis of ketones by sterically-controlled N–C bond activation is reported. The …

Mechanistic insight into organic and catalytic reactions by joint studies using mass spectrometry and NMR spectroscopy

PA Belyakov, VI Kadentsev, AO Chizhov… - Mendeleev …, 2010 - Elsevier
Utilization of NMR spectroscopy and mass spectrometry for joint mechanistic and structural
studies is a well-known practice. Several opportunities have appeared in recent years …

Catalytic application of room temperature ionic liquids:[bmim][MeSO 4] as a recyclable catalyst for synthesis of bis (indolyl) methanes. Ion-fishing by MALDI-TOF-TOF …

AK Chakraborti, SR Roy, D Kumar, P Chopra - Green Chemistry, 2008 - pubs.rsc.org
The catalytic application of room temperature ionic liquids (RTILs) has been explored to
catalyse the reaction of indole with aldehydes to afford bis (indolyl) methanes. The catalytic …

The application of electrospray ionization mass spectrometry to homogeneous catalysis

KL Vikse, Z Ahmadi, JS McIndoe - Coordination Chemistry Reviews, 2014 - Elsevier
Electrospray ionization mass spectrometry (ESI-MS) is increasingly being used as a tool to
gain mechanistic insights into homogeneous metal-catalyzed reactions. Here we briefly …