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ID:43755028
大小:7.85 MB
页数:70页
时间:2019-10-13
《分子光谱学 第六章 振动光谱学》由会员上传分享,免费在线阅读,更多相关内容在行业资料-天天文库。
1、Chapter6VibrationalspectroscopyCollegeofPhysics,QufuNormalUniversityZhangshu-dong2011-4-156.1DiatomicmoleculesHarmonicoscillatorEnergylevels:Termvalues:Forceconstantk:Potantialenergy:kisnotaffectedbyisotopicsubstitution!Hooke’slawUnitsofk:Nm-1,mdynA-1,aJA-2Q:Whatisbondorder?
2、6.1.1InfraredspectraTransitionmoment:Forhomonucleardiatomicmolecules:Forheteronucleardiatomicmolecules:---SelectionruleBand,fundamentalband,firstovertoneband,hotband,…Thev=1-0bandInfraredspectrumofDCl.BandandlinesQ:Whatdoestheintensitydependon?6.1.2RamanspectraTransitionmoment
3、:Forhomonuclearandheteronucleardiatomicmolecules:---SelectionruleBoltzmanndistributionlaw:Q:Theintensityofanti-StokeslineisusuallyweakerthanthatofStokesline,why?6.1.3AnharmonicityMorsepotentialDe:dissociationenergyb:potentialparameter,curvatureTermvalues:Birge-Sponerplot:Hint:
4、tosolvetheareaunderthelineWorkedexample6.16.1.4vibration-rotationspectroscopyTermvalues:InfraredspectraSelectionrules:---branchTherotationtransitionsmaybeobservedonlyinthegasphaseatlowpressureandusuallyinanabsorptionprocess.InfraredspectraTransitions:InfraredspectraZerogap:Inf
5、raredspectraCombinationdifference:ThelowerstatecombinationdifferencesTheupperstatecombinationdifferencesExercises6.1hintsRamanspectraSelectionrules:---branchRamanspectraTransitions:RamanspectraCombinationdifference:ThelowerstatecombinationdifferencesTheupperstatecombinationdif
6、ferencesJJ+2J-2O(J+2)S(J-2)JJ+2J-2O(J)S(J)6.2PolyatomicmoleculesSomekindsofvibrationalpatternsCommonsymbolsforvibarion6.2PolyatomicmoleculesNormalmodesofN-atommoleculesLinearmolecules:3N-5Non-linearmolecules:3N-6Q:Howtodetermineandtoclassifythenormalmodessymmetry,infraredactiv
7、ity?6.2.1GroupvibrationsandskeletalvibrationsTermvaluesforithnormalmodes---harmonicapproximationFornon-degeneratedmodes:Fordegeneratedmodes:Totalvalues:6.2.1GroupvibrationsandskeletalvibrationsFundamental,overtone,andcombinationtoneSelectionrule:6.2.1Groupvibrationsandskeletal
8、vibrationsGroupvibrations:onegroupinamoleculewhichmovementism
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