Literature DB >> 27966976

Interaction of B12F122- with All-cis 1,2,3,4,5,6 Hexafluorocyclohexane in the Gas Phase.

Michael J Lecours1, Rick A Marta1, Vincent Steinmetz2, Neil Keddie3, Eric Fillion1, David O'Hagan3, Terrance B McMahon1, W Scott Hopkins1.   

Abstract

Clusters of all-cis 1,2,3,4,5,6-hexafluorocyclohexane and the dodecafluorododecaboron dianion, [C6F6H6]n[B12F12]2- (n = 0-4), are investigated in a combined experimental and computational study. DFT calculations and IRMPD spectra in the region of 800-2000 cm-1 indicate that C6H6F6 binds to open trigonal faces of B12F122- via a three-point interlocking binding motif. Calculated binding interactions reveal substantial contributions from C-H···F hydrogen bonding and binding energies that are among the strongest observed for a neutral-anion system.

Entities:  

Year:  2016        PMID： 27966976     DOI： 10.1021/acs.jpclett.6b02629

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN： 1948-7185            Impact factor:   6.475


  5 in total

1.  Janus All-Cis 2,3,4,5,6-Pentafluorocyclohexyl Building Blocks Applied to Medicinal Chemistry and Bioactives Discovery Chemistry.

Authors:  Joshua L Clark; Rifahath M Neyyappadath; Cihang Yu; Alexandra M Z Slawin; David B Cordes; David O'Hagan
Journal:  Chemistry       Date:  2021-10-06       Impact factor: 5.020

2.  Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery.

Authors:  Andrea Rodil; Stefano Bosisio; Mohammed Salah Ayoup; Laura Quinn; David B Cordes; Alexandra M Z Slawin; Cormac D Murphy; Julien Michel; David O'Hagan
Journal:  Chem Sci       Date:  2018-02-19       Impact factor: 9.825

3.  Janus Face All-cis 1,2,4,5-tetrakis(trifluoromethyl)- and All-cis 1,2,3,4,5,6-hexakis(trifluoromethyl)- Cyclohexanes.

Authors:  Cihang Yu; Agnes Kütt; Gerd-Volker Röschenthaler; Tomas Lebl; David B Cordes; Alexandra M Z Slawin; Michael Bühl; David O'Hagan
Journal:  Angew Chem Int Ed Engl       Date:  2020-09-01       Impact factor: 15.336

4.  Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs.

Authors:  Joshua L Clark; Alaric Taylor; Ailsa Geddis; Rifahath M Neyyappadath; Bruno A Piscelli; Cihang Yu; David B Cordes; Alexandra M Z Slawin; Rodrigo A Cormanich; Stefan Guldin; David O'Hagan
Journal:  Chem Sci       Date:  2021-06-04       Impact factor: 9.825

5.  Self-organizing layers from complex molecular anions.

Authors:  Jonas Warneke; Martin E McBriarty; Shawn L Riechers; Swarup China; Mark H Engelhard; Edoardo Aprà; Robert P Young; Nancy M Washton; Carsten Jenne; Grant E Johnson; Julia Laskin
Journal:  Nat Commun       Date:  2018-05-14       Impact factor: 14.919
  5 in total

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