Literature DB >> 26154065

Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate).

Aurelia Falcicchio1, Sten O Nilsson Lill2, Filippo M Perna3, Antonio Salomone3, Donato I Coppi3, Corrado Cuocci1, Dietmar Stalke4, Vito Capriati3.   

Abstract

The first structure of an aromatic bis(trifluoroborate) dipotassium salt, elucidated by the combination of crystallography, DFT calculations, topological and non-covalent interaction analysis, discloses a 3D network undergoing spontaneous self-assembly thanks to the massive participation of weak intra- and intermolecular interactions for which fluorine atoms proved to play a leading role.

Entities:  

Year:  2015        PMID: 26154065     DOI: 10.1039/c5dt02020d

Source DB:  PubMed          Journal:  Dalton Trans        ISSN: 1477-9226            Impact factor:   4.390


  1 in total

1.  Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculations.

Authors:  Maximiliano A Iramain; Silvia Antonia Brandán
Journal:  J Mol Model       Date:  2019-11-15       Impact factor: 1.810

  1 in total

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