Literature DB >> 9506930

Gas-phase ionic reactions: dynamics and mechanism of nucleophilic displacements

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Abstract

Nucleophilic displacement reactions (the SN2 reaction) of ions in the gas phase are a prototypical reaction system that allows a study of dynamics, mechanisms, and structure-energy relations. This article reviews aspects of the kinetics (especially the applicability of statistical reaction rate theory), the relation of structure and reactivity, and the effects of small numbers of solvent molecules on the reaction and compares the behavior of the ionic reaction in the gas phase with that in solution.

Entities:  

Year:  1998        PMID： 9506930     DOI： 10.1126/science.279.5358.1882

Source DB:  PubMed          Journal:  Science        ISSN： 0036-8075            Impact factor:   47.728


  20 in total

1.  Reactions of microsolvated organic compounds at ambient surfaces: droplet velocity, charge state, and solvent effects.

Authors:  Abraham K Badu-Tawiah; Dahlia I Campbell; R Graham Cooks
Journal:  J Am Soc Mass Spectrom       Date:  2012-03-17       Impact factor: 3.109

2.  Reaction mechanisms: Stripping down S(N)2.

Authors:  Andrew J Orr-Ewing
Journal:  Nat Chem       Date:  2012-06-03       Impact factor: 24.427

3.  Single solvent molecules can affect the dynamics of substitution reactions.

Authors:  R Otto; J Brox; S Trippel; M Stei; T Best; R Wester
Journal:  Nat Chem       Date:  2012-06-03       Impact factor: 24.427

4.  Influence of the leaving group on the dynamics of a gas-phase SN2 reaction.

Authors:  Martin Stei; Eduardo Carrascosa; Martin A Kainz; Aditya H Kelkar; Jennifer Meyer; István Szabó; Gábor Czakó; Roland Wester
Journal:  Nat Chem       Date:  2015-11-30       Impact factor: 24.427

Review 5.  Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.

Authors:  Vijay M Krishnamurthy; George K Kaufman; Adam R Urbach; Irina Gitlin; Katherine L Gudiksen; Douglas B Weibel; George M Whitesides
Journal:  Chem Rev       Date:  2008-03       Impact factor: 60.622

6.  Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.

Authors:  Paul A Sigala; Daniel A Kraut; Jose M M Caaveiro; Brandon Pybus; Eliza A Ruben; Dagmar Ringe; Gregory A Petsko; Daniel Herschlag
Journal:  J Am Chem Soc       Date:  2008-09-23       Impact factor: 15.419

7.  Do Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?

Authors:  Caroline T Saouma; James M Mayer
Journal:  Chem Sci       Date:  2014-01-01       Impact factor: 9.825

8.  Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase.

Authors:  Shubin Liu; Hao Hu; Lee G Pedersen
Journal:  J Phys Chem A       Date:  2010-05-13       Impact factor: 2.781

Review 9.  Fundamental challenges in mechanistic enzymology: progress toward understanding the rate enhancements of enzymes.

Authors:  Daniel Herschlag; Aditya Natarajan
Journal:  Biochemistry       Date:  2013-03-14       Impact factor: 3.162

10.  Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.

Authors:  Han Zheng; Shenglong Wang; Yingkai Zhang
Journal:  J Comput Chem       Date:  2009-12       Impact factor: 3.376
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