Crystal and molecular structure of series of triphilic ionic liquid-crystalline materials based on the 1,2,4-triazolium cation

TY - JOUR

T1 - Crystal and molecular structure of series of triphilic ionic liquid-crystalline materials based on the 1,2,4-triazolium cation

AU - Riccobono, Alessio

AU - Whitwood, Adrian C.

AU - Parker, Rachel R.

AU - Hart, Sam

AU - Pace, Andrea

AU - Slattery, John M.

AU - Pibiri, Ivana

AU - Bruce, Duncan W.

N1 - © The Royal Society of Chemistry 2022 Funding Information: AR and RRP thank the University of York for support. AR also thanks the Università degli Studi di Palermo for support.

PY - 2022/10/21

Y1 - 2022/10/21

N2 - Results from the determination of sixteen X-ray single crystal structures are reported for a series of 3-(4-alkoxyphenyl)-5-perfluoroalkyl-2,4-dimethyl-1,2,4-triazolium salts with tetrafluoroborate, triflate or bistriflimide anions, in which the lengths of the alkoxy and perfluoroalkyl chains are varied systematically. On account of these cations having a hydrocarbon, fluorocarbon and ionic part, they are classified as triphilic. All of the tetrafluoroborate salts crystallised in the P21/c space group, most as acetone solvates, while for the bistriflimide salts, four different space groups were found although all contained a P21 screw axis often with additional symmetry elements. Of the triflates, two crystallised in space groups with a P21 screw axis and two in P1̄. The organisation in the crystalline state tended to reflect the triphilic nature of the materials with cations and anions associating in repeating motifs, while the rest of the space was occupied by either hydrocarbon or fluorocarbon domains with only two exceptions.

AB - Results from the determination of sixteen X-ray single crystal structures are reported for a series of 3-(4-alkoxyphenyl)-5-perfluoroalkyl-2,4-dimethyl-1,2,4-triazolium salts with tetrafluoroborate, triflate or bistriflimide anions, in which the lengths of the alkoxy and perfluoroalkyl chains are varied systematically. On account of these cations having a hydrocarbon, fluorocarbon and ionic part, they are classified as triphilic. All of the tetrafluoroborate salts crystallised in the P21/c space group, most as acetone solvates, while for the bistriflimide salts, four different space groups were found although all contained a P21 screw axis often with additional symmetry elements. Of the triflates, two crystallised in space groups with a P21 screw axis and two in P1̄. The organisation in the crystalline state tended to reflect the triphilic nature of the materials with cations and anions associating in repeating motifs, while the rest of the space was occupied by either hydrocarbon or fluorocarbon domains with only two exceptions.

UR - http://www.scopus.com/inward/record.url?scp=85141517222&partnerID=8YFLogxK

U2 - 10.1039/d2ce01354a

DO - 10.1039/d2ce01354a

M3 - Article

AN - SCOPUS:85141517222

SN - 1466-8033

VL - 100

JO - CrystEngComm

JF - CrystEngComm

IS - 24

M1 - 7852

ER -