Literature DB >> 19662266

Desolvation and substituent effects in edge-to-face aromatic interactions.

Scott L Cockroft1, Christopher A Hunter.   

Abstract

Experimental measurements of aromatic edge-to-face interaction energies in both molecular torsion balances and supramolecular zipper complexes can be reliably estimated using a simple electrostatic solvation model and alpha/beta H-bond constants.

Year:  2009        PMID： 19662266     DOI： 10.1039/b902351h

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  10 in total

1.  How much do van der Waals dispersion forces contribute to molecular recognition in solution?

Authors:  Lixu Yang; Catherine Adam; Gary S Nichol; Scott L Cockroft
Journal:  Nat Chem       Date:  2013-10-20       Impact factor: 24.427

2.  Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions.

Authors:  Steven E Wheeler; Anne J McNeil; Peter Müller; Timothy M Swager; K N Houk
Journal:  J Am Chem Soc       Date:  2010-03-17       Impact factor: 15.419

Review 3.  The use of hammett constants to understand the non-covalent binding of aromatics.

Authors:  Michael Lewis; Christina Bagwill; Laura K E Hardebeck; Selina Wireduaah
Journal:  Comput Struct Biotechnol J       Date:  2012-03-06       Impact factor: 7.271

4.  Polarisation effects on the solvation properties of alcohols.

Authors:  Stefan Henkel; Maria Cristina Misuraca; Pavle Troselj; Jonathan Davidson; Christopher A Hunter
Journal:  Chem Sci       Date:  2017-12-06       Impact factor: 9.825

5.  Quantitative model for rationalizing solvent effect in noncovalent CH-Aryl interactions.

Authors:  Bright U Emenike; Sara N Bey; Brianna C Bigelow; Srinivas V S Chakravartula
Journal:  Chem Sci       Date:  2015-11-17       Impact factor: 9.825

6.  Enantioselective fluorination of homoallylic alcohols enabled by the tuning of non-covalent interactions.

Authors:  Jaime A S Coelho; Akira Matsumoto; Manuel Orlandi; Margaret J Hilton; Matthew S Sigman; F Dean Toste
Journal:  Chem Sci       Date:  2018-08-03       Impact factor: 9.825

7.  Relating Conformational Equilibria to Conformer-Specific Lipophilicities: New Opportunities in Drug Discovery.

Authors:  Bruno Linclau; Zhong Wang; Benjamin Jeffries; Jérôme Graton; Rodrigo J Carbajo; Davy Sinnaeve; Jean-Yves Le Questel; James S Scott; Elisabetta Chiarparin
Journal:  Angew Chem Int Ed Engl       Date:  2021-12-29       Impact factor: 16.823

8.  Dissecting Solvent Effects on Hydrogen Bonding.

Authors:  Nicole Y Meredith; Stefan Borsley; Ivan V Smolyar; Gary S Nichol; Christopher M Baker; Kenneth B Ling; Scott L Cockroft
Journal:  Angew Chem Int Ed Engl       Date:  2022-06-14       Impact factor: 16.823

9.  Mechanistic Chromatographic Column Characterization for the Analysis of Flavonoids Using Quantitative Structure-Retention Relationships Based on Density Functional Theory.

Authors:  Bogusław Buszewski; Petar Žuvela; Gulyaim Sagandykova; Justyna Walczak-Skierska; Paweł Pomastowski; Jonathan David; Ming Wah Wong
Journal:  Int J Mol Sci       Date:  2020-03-17       Impact factor: 5.923

10.  Reconciling Electrostatic and n→π* Orbital Contributions in Carbonyl Interactions.

Authors:  Kamila B Muchowska; Dominic J Pascoe; Stefan Borsley; Ivan V Smolyar; Ioulia K Mati; Catherine Adam; Gary S Nichol; Kenneth B Ling; Scott L Cockroft
Journal:  Angew Chem Int Ed Engl       Date:  2020-07-01       Impact factor: 15.336
  10 in total

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