第五章-XANES方法

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XANES(,100871)[](1947-),,,,,XAFS,30,010-62757792XAFS(X-rayabsorptionfinestructure)XANES(X-rayabsorptionnearedgestructure)EXAFS(ExtendedXAFS),X-rayabsorptionspectroscopy,EXAFS,XANESXAFSXAFS,XANES(70eV)EXAFS(501000eV)XAFS,K,XAFS,(pre-edge)(edge),(shaperesonance)(1070eV)EXAFS(501000eV)XANESX,,,(finestructure),,Kossol1920,,70,[1],K(pre-edgefeatures)1snd,(XANES)XAFS,SternSayersLytle70,70,EXAFSEXAFS,XANESXANES[2,3]Eisenberger1975KXANES[4,5],90,KXANES,[469],LXANES[70],XANES,XL(LLL)XANES,[7086]XANES,(fingerprint),XANES,XANES(1)-,,(),,XANES(1s2s2p3p)nd(n+1)s(n+1)p(,d,)(2)XANES,,XANES,(3),XANES,(),1,CrXANESXANES217PETROCHEMICALTECHNOLOGY200029111X,KLMK,1sK1s,LK,2sL,2p2p1/22p3/2,LL:,KL,1sCr,X,574eVL,583eVL679eVL,5988eVK,11CrKL112,,,,,,XANES?(1)3d,3d,Cu+Cu2+3d4s,3d4s3d4p(),3d5d,2pds,6s,,KLXANES2d,ReOsIrPtAuL2p5d65d75d10,L(,whiteline)(2),d,3dt2geg,0,XANES2ReOsIrPtAuL,2p5d,,1s2sd,XANES,1s2s,d,,XANESOhTdD4h(sitesymmetry),,2p,LK113,,,,/,,EXAFS,,,3[3]3EXAFSXANES,/,,,3179:XANES2211XAFSEX2AFS,,,(step),4eVXANES,,(0101011eV),XANESXAFS,,,XANES,10eV4050eV,,015eV,011012eV212KLLL,KL,CrL574eV,CrMnFeCo,L100eV,LaCe,L6keV,CrK(51988keV)XAFSX,X520keV,312keV,,,CrKLXANES,,,,Cr,K2CrO4,61002keVCr,K2CrO4213XANES20eV70eV,,,ET257,sitesymmetry,ET8,ABCD,ET,,,212XANES,XANES1,4[48,49](515eV34eV),,EXAFS0XANES,214XANES(4),(4)(4)XANES,1012,XANES,43311KCr(CO)6KXANES,5,Cr(CO)661990,BrionHREELSCr(CO)6,6,Cr3degt2g,Brion3187eVt2gd(t1u,t2g)51507166eV,8141215eV,1215eV,Cr5XANES,X,1s3d,,08eV,1s4p1510eV,HREELS,5Cr(CO)6CrKXANES(8eV)(feature)1s3d,15eV1s4p,3d4p(1)3d,(015eV)3d,5315eV417PETROCHEMICALTECHNOLOGY2000295Cr(CO)6KXANES6Cr(CO)6(2),1s3d,3d,OhTdCr(CO)6,1s3d,,()MO4(M=TiVCrFe)7,1s3d,CrTi1s3d,dFe3+Td,,XANESd(3)[310],XANES3d4p(),(8CD[60]),1s4pzzz,C4v(7C),D4h(8D),1s4pz,D4hC4vXANES,17dXANES8KXANESA.-oxo;B.;C.(4pz);D.(,4pz)13dK()(1s3d)(1s4pz)6(Oh)Oh5(C4v)4(D4h)4(Td)(4),dd2Cr(CO)63d,d,1/3d,,d310415eV,2eV,Oh3d115eV,Td017eV,XANES(n+1)sK,5179:XANES1s4p,4p(011eV),312LL2s,LK,5d,1s,W(),K691508keV,K(X),,L,WL(121090keV)9[91]9WLKXANES,92s5d,35eV2s6pWO3WO6W2s5d,WO4,NaxWO4(9B)313LLL2p,XANESL,K,L,2pnd,Ldd-K,Cr,[Cr(CN)6]3-L,LXANES[86]10,,578585eVL10[Cr(CN)6]3-LL,585eVLL,Oht2geg,315eV,=315eV:(1)Cr3+t2gd,t2geg;(2)Tddet2,Oh01eVL(12keV),,PtH2O2Pt4314,,3,EC3d20eV,K,ET,2070eV,(3),-XANES,,(shaperesonance),5Cr(CO)6XANES,34eV,MCO,shaperesonance,1111MCO,,,,617PETROCHEMICALTECHNOLOGY2000294411[70]LLXANESSinfeltWachs[87](Mo)MoLL2p4d[88a]d118eV,3eV,L()Mo,12MoO3,,Al2O3Oh(20%O2inH2,723K),MoTd,TdTdOh,-NiMoO4LL13;Mod2[88b]12MoL13-NiMoO4LLKSiO2,300500650800,Oh,14ADNa2CO3,300500650800,650(14G)Td-Oh,800(14H)Td2MoLLXANESMod,eVLLMoO3312(Oh)219(Oh)-NiMoO4311(Oh)218(Oh)-CoMoO4217(Oh)215(Oh)FeMoO4116(Td)211(Td)-CoMoO4115(Td)210(Td)H2O-NiMoO4116(Td)211(Td)H2O-CoMoO4116(Td)210(Td)14Fe2O3/Al2O3(AD)Na2CO3(EH)XANES[89],14sitesym2metryXANES,,XANES,,15[90]15,Fe3(CO)12Al2O3,shaperesonance15Fe3(CO)12Al2O3KXANES7179:XANESFe3(CO)12,Deng[93]CuKXANES,XANES,,,,Mn-W/SiO2Mn[91]XANESMg[92]Cu(NO)[9397]Ir[98,99]Pd[100,101][88,98]CO/O2[100]412BoudartPtH,Pt-L9eVPt2p3/2Pt-HHammerNerskov[103]1995Nature9eVPtLXANESPtXANESPtPt5d,L(whiteline),16[104],H2PtPt(H-1sPt-5d)[105],17Pt17,9eV,O216PtPtLAPtO2;EPt;BCDPt413XANES[106108],960cm21TiO17H2Pt(a)(b)PtL(TiO4O3TiOH)[109]3dTi()3d0,Ti-K1s3d,1st2e(),,(,1segt2g),XANES,TiO4,,(NH3XANES),5EXAFSEXAFSXANES(insitu)EXAFSXANESsitesymmetry,,XANESXANES,XANES,,Cr()-Cr()/SiO2(-),Cr()-Cr(),K2CrO4/SiO2Cr2O3/SiO2,CrKCr()-Cr()/SiO2XANES,817PETROCHEMICALTECHNOLOGY200029Cr()/Cr()0166/0134,18,,,18A.K2CrO4;B.(2/3A1/3D);C.2/3A+1/3D;D.Cr2O3XANES,XANES,,XANES,OK3dLL,,XANES,,,,,,6XANESXANES,,XANES,XANES,[106108],,,KL[110],keVKLLL1-H0.0142-He0.0253-Li0.0554-Be0.1165-B0.1926-C0.2837-N0.3998-O0.531KLLL9-F0.68710-Ne0.8730.0480.0220.02211-Na1.0800.0550.0340.03412-Mg1.3030.0630.0500.04913-Al1.5590.0870.0730.07214-Si1.8380.1180.0990.09815-P2.1420.1530.1290.12816-S2.4700.1930.1640.16317-Cl2.8190.2380.2030.20218-Ar3.2030.2870.2470.24519-K3.6060.3410.2970.29420-Ca4.0380.3990.3520.34921-Sc4.4960.4620.4110.40622-Ti4.9640.5300.4600.45423-V5.4630.6040.5190.51224-Cr5.9880.6790.5830.57425-Mn6.5370.7620.6500.63926-Fe7.1110.8490.7210.70827-Co7.7090.9290.7940.77928-Ni8.3311.0150.8710.85329-Cu8.9801.1000.9530.93330-Zn9.6601.2001.0451.02231-Ga10.3681.3001.1341.11732-Ge11.1031.4201.2481.21733-As11.8631.5291.3591.32334-Sn12.6521.6521.4731.43435-Br13.4751.7941.5991.55236-Kr14.3231.9311.7271.67537-Rb15.2012.0671.8661.80638-Sr16.1062.2212.0081.94139-Y17.0372.3692.1542.07940-Zr17.9982.5472.3052.22041-Nb18.9872.7062.4672.37442-Mo20.0022.8842.6272.52343-Tc21.0543.0542.7952.67744-Ru22.1183.2362.9662.83745-Rh23.2243.4193.1453.00246-Pd24.3473.6173.3293.17247-Ag25.5173.8103.5283.35248-Cd26.7124.0193.7273.53849-In27.9284.2373.9393.72950-Sn29.1904.4644.1573.92851-Sb30.4864.6974.3814.13252-Te31.8094.9384.6134.34153-I33.1645.1904.8564.55954-Xe34.5795.4525.1044.78255-Cs35.9595.7205.3585.01156-Ba37.4105.9955.6235.24757-La38.9316.2835.8945.48958-Ce40.4496.5616.1655.72959-Pr41.9986.8466.4435.96860-Nd43.5717.1446.7276.21561-Pm45.2077.4487.0186.46662-S

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