2014s2&001 eck …pf › outline › pf-s › pfsympo33 › 14s2-001web.pdf · 2016-05-27 ·...
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E CKStructural(sciences(for(the(understanding(of(the(origin(of(physical(properties(and(optimization(of(
functions(in(the(organic(molecular(assemblies.
1 25 5 5 5 5 2 5 5 5 5 5 2033 5 5 5 5 5
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水素結合系有機反強誘電体の電場誘起構造相転移 BL#8A,'8B
2014S2&001
BL# 8A,'8B, 7C
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1. S.(Horiuc h i ,(K.(Kobay as hi ,(R.(Kumai ,(N.(Minami ,(F.(Kagawa(and(Y.(Tok ura,("Quantum(ferroe lec tric i ty in (chargeFtransfer(c omplex(c ry sta ls", Nature'Commun.,(6 ,(7469:1F7((2015).2 . Ak i ra (Ueda,(Ak ari Hatak ey ama,(Mas ay a(Enomoto,(Rei j i (Kumai ,(Youic hi Murak ami ,(and Hats umi Mori ,("Modulation(of(Molec ular(πFElec tron(Sy stem(in (a (Pure ly(Organic (Conduc tor(that(Shows (Hy drogenFBondFDy namic s FBas ed(Swi tc h ing(of(Conductivi ty (and(Magnetism", Chem.'Eur.'J .,(21 ,(15020–15028((2015).3 . Yuk i (Noda,(Tos hik az u(Yamada,(Kens uke(Kobayas hi,(Rei j i (Kumai ,(Sachio(Horiuch i ,(Fumi taka(Kagawa,(and(Tatsuo(Has egawa,("FewFVol t(Operation(of(Prin ted(Organic (Ferroe lec tric(Capac i tor",(Adv .'Mater.,(27,(6475F6481((2015).4 . S.(Inoue,(H.(Minemawari ,(J .(Ts uts umi ,(M.(Chik amats u,(T.(Yamada,(S.(Horiuc h i,(M.(Tanak a,(R.(Kumai ,(M.(Yoney a,(and(T.(Hasegawa,(“Effec ts(o f(Substi tu ted(Alk yl (Chain(Length(on(Solution FProc ess able Layered(Organic(Semic onductor(Cry s ta ls”,(Chem.'Mater.,(27 ,(3809–3812((2015).
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水素結合を有する有機導体の構造と物性 BL# 8A
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Space group: Aea2(#41)Orthorhombic,a=14.0466, b=14.6089, c=10.0264, V= 2057.4712, Z=8, Rint=0.0262R1(I>2σ)=0.0347, wR2=0.1094, GOF=1.027
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κFH3(CatFEDTFTTF)2,( H'TTFQSL
Crystal#Polymorphism#in#κ0H3(Cat0EDT0TTF)2
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+0.094(4)
1.399(3)9 Å
1.344(3)9 Å
1.366(2)(Å
O···O:( 2.501(2)( ÅO···D:( 1.265(7)( Å
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1.51(5)( Å1.366(2)(Å
+0.5+0.5 +0.906(4)
D'TTF Tc ~(185(K
C2/c @270( K PF1( @50( K
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1.381(5)9 Å
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1.33(6)( Å
+0.871(5)
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A.(Ueda(et(a l.(JACS(136,12184((2014)(
H-TTFQS L
(Ref. 1)
H-TTF50K
(this work)D-TTF(Ref. 2)
D-ST(Ref. 2)
293 K 270 K 4 K 270 K 50 K 270 K 50 K
b1 213 220 334 218 338 365 425
b2 78 79.4 80.8 79.0 78.9 163 139
p1 41 42.6 –46.4 42.7 28.9 78.8 70.3
q1 –16 –14.7 18.8 –15.5 2.4 –29.6 –49.3
b3 – – 180 – 52.0 – 260
b4 – – 90.1 – 2.9 – 141
p2 – – –56.3 – 21.7 – 74.2
q2 – – 5.4 – –7.1 – 5.4
Comparison#of#Electronic#Structures
c
b
a
+0.91 (D-TTF)+0.80 (D-S T)+0.879(H'TTF50K)
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b4
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q2
p2
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b1
Transfer(integrals((in(meV)
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[1 ](Ueda(et(al .(JACS(136, 12184((2014)(,([2 ]Ueda(et(a l.(Chem.(Eur.(J.(21, 15020((2015)(
charge(ordered(state((LTP)