英语翻译
Comparisonofthestackingperiodicityalongthecolumnar
axisandthatalongthemoleculardiscnormal(h0andh,
respectively)indicatesthatthemoleculesarestackedalmost
perpendiculartothecolumnaraxis(seeTableS1inthe
SupportingInformation).[16]Furthermore,themolecules
likelystackinanalternatedfashioninordertofillthe
availablespacebetweenneighbors.Thisisalsoindicatedby
moleculardynamics(MD)simulationsinwhichacolumn
modelwasbuiltfromaperiodiccylindricalcellwitha13.3-G
height(4I3.33G,correspondingtofourstackedmolecules),
inkeepingwiththeexperimentalX-raydata.Thesecalculations
showagoodspace-fillingoftheavailablevolumeas
wellastheenhancementofthemicrosegregationoverthe
entiresimulationexperimenttime,contributingtothe
cohesionofthecolumnarstructure.Moreover,themodel
showedthatthecohesionofthecolumnsisfurtherreinforced
byPt–PtandPt–alkyneinteractions,asalsorevealedbythe
sharpwide-anglesignal(h0).TheBF4
3anionsarelocated
betweenthecomplexes.SnapshotsoftheMDexperiment
accountfortheexcellentmolecularpackingof2cinthe
hexagonalcolumnar(Colh)phaseasshowninFigure4.The
sizeofthecentralrigidelectron-richcoreisaround2nm,a
valuethatisveryclosetothesmallestwidthofafiberas
determinedfor2bbyTEMindilutegels.
Finally,theorganizationofthesefibrillarsuperstructures
onwell-definedcrystallographicsurfacessuchasmicaand
highlyorderedpyrolyticgraphite(HOPG)wasalsoinvestigated
(notethatthemoleculesweredepositedonamorphous
carbonfilmsfortheTEMinvestigations).Adilutedgel
(0.08mmolL31)of2bwasdepositedbydrop-castingona
micasubstrate.AsshowninFigure5a,fiberswithno
apparentorientationalorderandanaverageheightof2nm
(seecross-sectionofFigure5b)areclearlyvisible.
Interestingly,adiluteddodecanegelofcomp