Results 281 to 290 of about 43,957 (340)

Net Electrophilicity

The Journal of Physical Chemistry A, 2009
The concept of net electrophilicity (electroaccepting power relative to electrodonating power) is introduced. It provides expected trends in most cases. A net electrophilicity scale is presented. Various reactivity descriptors for 32 molecules are calculated at the B3LYP/6-311+G(d) level of theory.
Pratim Kumar, Chattaraj   +2 more
openaire   +2 more sources

Electrophilicity Index

Chemical Reviews, 2006
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Pratim Kumar, Chattaraj   +2 more
openaire   +2 more sources

Electrophilicity index revisited

Journal of Computational Chemistry, 2022
AbstractThis review aims to be a comprehensive, authoritative, critical, and accessible review of general interest to the chemistry community; because the electrophilicity index is a very useful global reactivity descriptor defined within a conceptual density functional theory framework.
Ranita Pal, Pratim Kumar Chattaraj
openaire   +2 more sources

Thermodynamic electrophilicity

The Journal of Chemical Physics, 2017
We revisit the electrophilicity index proposed by Parr et al., with special emphasis on the working equations used to calculate this descriptor. We show that the standard way to obtain this reactivity index (using the conceptual density functional theory formalism) leads to several issues. In this contribution, we propose to overcome these difficulties
openaire   +2 more sources

Stereoselective Electrophilic Cyclization

The Chemical Record, 2015
AbstractElectrophilic cyclizations of unactivated alkenes play highly important roles in the synthesis of useful building blocks. This account describes our contributions to the rational design of monofunctionalized chiral Lewis base catalysts for enantioselective iodo‐ and protocyclizations.
Akira, Sakakura, Kazuaki, Ishihara
openaire   +2 more sources

Electrophilic Amination with Nitroarenes

Angewandte Chemie International Edition, 2017
AbstractAn exceptionally general electrophilic amination, which directly transforms commercially available nitroarenes into alkylated aromatic aminoboranes with zinc organyl compounds was developed. The reaction starts with a two‐step partial reduction of the nitro group to a nitrenoid, which is used in situ as the electrophilic amination reagent.
Marian Rauser   +2 more
openaire   +2 more sources

Electrophilic Reactivities of Azodicarboxylates

Chemistry – A European Journal, 2010
AbstractThe kinetics of the reactions of the azodicarboxylates 1 with the enamines 2 have been studied in CH3CN at 20 °C. The reactions follow a second‐order rate law and can be described by the linear free energy relationship log k2(20 °C)=s(N+E) (E=electrophilicity parameter, N=nucleophilicity parameter, and s=nucleophile‐specific slope parameter ...
Tanja, Kanzian, Herbert, Mayr
openaire   +2 more sources

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