Literature DB >> 31087577

Some Recent Advances in the Design and Use of Molecular Balances for the Experimental Quantification of Intramolecular Noncovalent Interactions of π Systems.

Abil E Aliev1, William B Motherwell1.   

Abstract

Herein, various molecular balances used for comparing the strengths of intramolecular noncovalent interactions are reviewed. Our overview indicates that considerable quantitative insight into the strength of noncovalent interactions can be gained through the careful design of molecular balances. Many exciting opportunities certainly exist for the design of further new balances to quantify and dissect the relative strengths of noncovalent interactions as a function of solvation and the importance of the many factors that contribute to overall molecular recognition. However, even simple model molecules can show a multiplicity of intramolecular noncovalent interactions acting in a combined fashion. It is therefore essential to undertake a detailed computational analysis to identify all possible noncovalent interactions present in a selected molecular balance prior to a quantitative experimental assessment of the strength of a particular noncovalent interaction. It is also argued that the words "torsion" and "molecular balance" seem to have become inextricably linked and, in consequence, even top pan and seesaw balances have been mistakenly referred to in these terms.
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  NMR spectroscopy; aromatic systems; conformational analysis; molecular balances; weak interactions

Year:  2019        PMID: 31087577     DOI: 10.1002/chem.201900854

Source DB:  PubMed          Journal:  Chemistry        ISSN: 0947-6539            Impact factor:   5.236


  5 in total

1.  Shedding Light on the Interactions of Hydrocarbon Ester Substituents upon Formation of Dimeric Titanium(IV) Triscatecholates in DMSO Solution.

Authors:  A Carel N Kwamen; Marcel Schlottmann; David Van Craen; Elisabeth Isaak; Julia Baums; Li Shen; Ali Massomi; Christoph Räuber; Benjamin P Joseph; Gerhard Raabe; Christian Göb; Iris M Oppel; Rakesh Puttreddy; Jas S Ward; Kari Rissanen; Roland Fröhlich; Markus Albrecht
Journal:  Chemistry       Date:  2020-01-22       Impact factor: 5.236

2.  Toluene Dioxygenase-Catalyzed cis-Dihydroxylation of Quinolines: A Molecular Docking Study and Chemoenzymatic Synthesis of Quinoline Arene Oxides.

Authors:  Derek R Boyd; Narain D Sharma; Pui L Loke; Jonathan G Carroll; Paul J Stevenson; Patrick Hoering; Christopher C R Allen
Journal:  Front Bioeng Biotechnol       Date:  2021-02-12

Review 3.  Triptycene Derivatives: From Their Synthesis to Their Unique Properties.

Authors:  Mateusz Woźny; Adam Mames; Tomasz Ratajczyk
Journal:  Molecules       Date:  2021-12-31       Impact factor: 4.411

4.  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

5.  Preferential binding of unsaturated hydrocarbons in aryl-bisimidazolium·cucurbit[8]uril complexes furbishes evidence for small-molecule π-π interactions.

Authors:  Steven J Barrow; Khaleel I Assaf; Aniello Palma; Werner M Nau; Oren A Scherman
Journal:  Chem Sci       Date:  2019-10-17       Impact factor: 9.825

  5 in total

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