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Literature DB >> 16491179

A deuterated deep-cavity cavitand confirms the importance of C-H...X-R hydrogen bonds in guest binding.

Zachary R Laughrey¹, Thomas G Upton, Bruce C Gibb.

Abstract

A deuterated cavitand host was examined for its affinity to a series of guests; for halogenated, preorganized guests binding was significantly stronger than the corresponding protium host.

Entities: Chemical

Year: 2006 PMID： 16491179 DOI： 10.1039/b515187b

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

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Cited

6 in total

1. Deuterium equilibrium isotope effects in a supramolecular receptor for the hydrochalcogenide and halide anions.

Authors: Hazel A Fargher; Russell A Nickels; Thaís P de Faria; Michael M Haley; Michael D Pluth; Darren W Johnson
Journal: RSC Adv Date: 2021-08-04 Impact factor: 4.036

2. Binding of cyclic carboxylates to octa-acid deep-cavity cavitand.

Authors: Corinne L D Gibb; Bruce C Gibb
Journal: J Comput Aided Mol Des Date: 2013-11-12 Impact factor: 3.686

3. Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.

Authors: Florentina Tofoleanu; Juyong Lee; Frank C Pickard Iv; Gerhard König; Jing Huang; Minkyung Baek; Chaok Seok; Bernard R Brooks
Journal: J Comput Aided Mol Des Date: 2016-09-30 Impact factor: 3.686

A deuterated deep-cavity cavitand confirms the importance of C-H...X-R hydrogen bonds in guest binding.

1. Deuterium equilibrium isotope effects in a supramolecular receptor for the hydrochalcogenide and halide anions.

2. Binding of cyclic carboxylates to octa-acid deep-cavity cavitand.

3. Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.

4. Binding Hydrated Anions with Hydrophobic Pockets.

5. Computational and Experimental Evidence of Emergent Equilibrium Isotope Effects in Anion Receptor Complexes.

6. Theoretical, Solid-State, and Solution Quantification of the Hydrogen Bond-Enhanced Halogen Bond.