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Title: Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis

Abstract

The flexibility, complexity, and size of contemporary organocatalytic transformations pose interesting and powerful opportunities to computational and experimental chemists alike. In this Account, we disclose our recent computational investigations of three branches of organocatalysis in which nonbonding interactions, such as C–H···O/N interactions, play a crucial role in the organization of transition states, catalysis, and selectivity.

Authors:
 [1];  [1];  [2];  [1]
  1. Oregon State Univ., Corvallis, OR (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1337048
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Accounts of Chemical Research
Additional Journal Information:
Journal Volume: 49; Journal Issue: 6; Journal ID: ISSN 0001-4842
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Walden, Daniel, Ogba, O. Maduka, Johnston, Ryne C., and Cheong, Paul Ha-Yeon. Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis. United States: N. p., 2016. Web. doi:10.1021/acs.accounts.6b00204.
Walden, Daniel, Ogba, O. Maduka, Johnston, Ryne C., & Cheong, Paul Ha-Yeon. Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis. United States. doi:10.1021/acs.accounts.6b00204.
Walden, Daniel, Ogba, O. Maduka, Johnston, Ryne C., and Cheong, Paul Ha-Yeon. Mon . "Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis". United States. doi:10.1021/acs.accounts.6b00204. https://www.osti.gov/servlets/purl/1337048.
@article{osti_1337048,
title = {Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis},
author = {Walden, Daniel and Ogba, O. Maduka and Johnston, Ryne C. and Cheong, Paul Ha-Yeon},
abstractNote = {The flexibility, complexity, and size of contemporary organocatalytic transformations pose interesting and powerful opportunities to computational and experimental chemists alike. In this Account, we disclose our recent computational investigations of three branches of organocatalysis in which nonbonding interactions, such as C–H···O/N interactions, play a crucial role in the organization of transition states, catalysis, and selectivity.},
doi = {10.1021/acs.accounts.6b00204},
journal = {Accounts of Chemical Research},
number = 6,
volume = 49,
place = {United States},
year = {2016},
month = {6}
}

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Cited by: 21 works
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Works referencing / citing this record:

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journal, April 2017

  • Prieto, Liher; Sánchez-Díez, Eduardo; Uria, Uxue
  • Advanced Synthesis & Catalysis, Vol. 359, Issue 10
  • DOI: 10.1002/adsc.201700198

A Counterion-Directed Approach to the Diels-Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes
journal, October 2016

  • Kiss, Emily; Campbell, Craig D.; Driver, Russell W.
  • Angewandte Chemie International Edition, Vol. 55, Issue 44
  • DOI: 10.1002/anie.201608534

Stereodivergent Aminocatalytic Synthesis of Z - and E -Trisubstituted Double Bonds from Alkynals
journal, October 2016

  • Marzo, Leyre; Luis-Barrera, Javier; Mas-Ballesté, Rubén
  • Chemistry - A European Journal, Vol. 22, Issue 46
  • DOI: 10.1002/chem.201603437

Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies
journal, January 2016

  • Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.
  • Organic & Biomolecular Chemistry, Vol. 14, Issue 38
  • DOI: 10.1039/c6ob01557c

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