02155nas a2200169   4500008004100000022001400041245013000055210006900185260011000254300001400364490000700378520140800385100001901793700002401812700001901836856013001855       2016                        eng d  a1144-054600aExperimental and computational analysis of supramolecular motifs involving C-sp2(aromatic)-F and CF3 groups in organic solids0 aExperimental and computational analysis of supramolecular motifs  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a4981-50010 v403 a<p>A detailed experimental (SCXRD) and theoretical (PIXEL and QTAIM) investigation of the evolution of different supramolecular motifs formed via the presence of both C(sp(2))/(sp(3))-F groups in the crystal packing has been performed in a series of newly synthesized substituted benzanilides (containing ``both'' the fluorine and the trifluoromethyl group in the same molecule) along with previously reported similarly related crystal structures [CrystEngComm, 2008, 10, 54-67; CrystEngComm, 2012, 14, 1972-1989, CrystEngComm, 2013, 15, 3711-3733]. It was observed that the highest stabilized molecular motifs primarily consist of C(sp(2))-H center dot center dot center dot F-C(sp(2)) H-bonds in preference to C(sp(2))-H center dot center dot center dot F-C(sp(3)) H-bonds in the crystal. The motifs involving C(sp(2))-H center dot center dot center dot F-C(sp(2))/(sp(3)) H bonds were observed to be present over the entire distance range between 2.2 and 2.7 angstrom, albeit the difference in energies of stabilization involving fluorine atoms attached to sp(2) and sp(3) carbon is not significant in molecular crystals. From QTAIM analysis, the C(sp(2))/(sp(3))-F center dot center dot center dot F-C(sp(2))/(sp(3)) interactions were observed to be a closed shell in nature and provide local stabilization, indicating the formation of bonds, similar to weak hydrogen bonds observed in crystals.</p>1 aPanini, Piyush1 aGonnade, Rajesh, G.1 aChopra, Deepak  uhttp://library.ncl.res.in/content/experimental-and-computational-analysis-supramolecular-motifs-involving-c-sp2aromatic-f-and01997nas a2200349   4500008004100000022001400041245022500055210006900280260000900349300001500358490000700373520077700380653002301157653001201180653001601192653002201208653002601230653001301256100002301269700001501292700002001307700001901327700001701346700002701363700002201390700002301412700002301435700001801458700002501476700002101501856012501522       2022                        eng d  a0947-653900aInterplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging0 aInterplay of anionpi and pipi interactions in novel pyrido21aiso  cJUL   ae2022006320 v283 a<p>
	Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.</p>
10a1-a]isoquinolinium10aAIEgens10aanion-pi(+)10acrystal structure10amitochondrial imaging10apyrido[21 aMule, Ravindra, D.1 aRoy, Rupam1 aMandal, Koushik1 aChopra, Deepak1 aDutta, Tanoy1 aSancheti, Shashank, P.1 aShinde, Popat, S.1 aBanerjee, Somsuvra1 aKoner, Apurba, Lal1 aBhowal, Rohit1 aSenthilkumar, Beeran1 aPatil, Nitin, T.  uhttp://library.ncl.res.in/content/interplay-anion-pi-and-pi-pi-interactions-novel-pyrido21-aisoquinolinium-based-aiegens