Literature DB >> 26990917

Atom Tunneling in Chemistry.

Jan Meisner1, Johannes Kästner2.   

Abstract

Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom tunneling can be indirectly detected by temperature-independent rate constants at low temperature or by enhanced kinetic isotope effects. In contrast, the influence of tunneling on the reaction rates can be monitored directly through computational investigations. The tunnel effect, for example, changes reaction paths and branching ratios, enables chemical reactions in an astrochemical environment that would be impossible by thermal transition, and influences biochemical processes.
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  isotope effects; quantum chemistry; reaction rates; reactivity; tunnel effects

Year:  2016        PMID: 26990917     DOI: 10.1002/anie.201511028

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  18 in total

1.  Quantum Suppression of Intramolecular Deuterium Kinetic Isotope Effects in a Pericyclic Hydrogen Transfer Reaction.

Authors:  Xiao Li; Darrin M York; Matthew P Meyer
Journal:  J Phys Chem A       Date:  2019-04-22       Impact factor: 2.781

Review 2.  Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins.

Authors:  Xiongyi Huang; John T Groves
Journal:  Chem Rev       Date:  2017-12-29       Impact factor: 60.622

3.  Intramolecular Hydrogen Atom Transfer in Aminyl Radical at Room Temperature with Large Kinetic Isotope Effect.

Authors:  Ying Wang; Arnon Olankitwanit; Suchada Rajca; Andrzej Rajca
Journal:  J Am Chem Soc       Date:  2017-05-22       Impact factor: 15.419

4.  Heavy-atom tunnelling in Cu(ii)N6 complexes: theoretical predictions and experimental manifestation.

Authors:  Itzhak Sedgi; Sebastian Kozuch
Journal:  Chem Sci       Date:  2020-02-18       Impact factor: 9.825

Review 5.  Kinetic isotope effects and how to describe them.

Authors:  Konstantin Karandashev; Zhen-Hao Xu; Markus Meuwly; Jiří Vaníček; Jeremy O Richardson
Journal:  Struct Dyn       Date:  2017-12-13       Impact factor: 2.920

6.  Atom tunnelling in the reaction NH3+ + H2 → NH4+ + H and its astrochemical relevance.

Authors:  Sonia Álvarez-Barcia; Marie-Sophie Russ; Jan Meisner; Johannes Kästner
Journal:  Faraday Discuss       Date:  2016-12-22       Impact factor: 4.008

7.  Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations.

Authors:  Lei Song; Johannes Kästner
Journal:  Phys Chem Chem Phys       Date:  2016-10-26       Impact factor: 3.676

8.  Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H2O2 → H2O + OH.

Authors:  Thanja Lamberts; Pradipta Kumar Samanta; Andreas Köhn; Johannes Kästner
Journal:  Phys Chem Chem Phys       Date:  2016-12-07       Impact factor: 3.676

9.  Protonation-Initiated Cyclization by a Class II Terpene Cyclase Assisted by Tunneling.

Authors:  Adam Eriksson; Charlotte Kürten; Per-Olof Syrén
Journal:  Chembiochem       Date:  2017-11-03       Impact factor: 3.164

10.  Regiodivergent enantioselective C-H functionalization of Boc-1,3-oxazinanes and application to the synthesis of β2 and β3-amino acids.

Authors:  Weilong Lin; Ke-Feng Zhang; Olivier Baudoin
Journal:  Nat Catal       Date:  2019-09-09
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