分子光譜基礎(chǔ)(fundamentals of molecular spectroscopy)

分子光譜基礎(chǔ)(fundamentals of molecular spectroscopy)

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時間:2019-05-02

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1、分子光譜基礎(chǔ)(Fundamentalsofmolecularspectroscopy)Chapter1molecularspectroscopybasisIthaslongbeenknownthatthespecialcolorofmattercanbeusedtodeterminethecontentofmatter,whichisthebasisofcolorimetricanalysis.Inquantummechanics,afterthebirthofpeopletounderstandtheinteractionbetwee

2、nlightandmatterareleap,spectraltechniquehasbeengreatlydevelopedinthequalitativeandquantitativeanalysis,alsobecameoneofthemaintoolsforunderstandingthematerialstructureinformation.Thischaptermainlyintroducesthetheoreticalbasisofmolecularspectroscopy.Absorptionandemissionof

3、lightorscatteringmaterial,itsessenceistheinteractionbetweenlightandmaterialmolecularevolution,relationshipbetweenmaterialabsorption,emissionorscatteringlightintensityonthefrequencymappingform,ismolecularspectroscopy.Accordingtothewavelengthrangeandtheactionformofthelight

4、radiation,themolecularspectrumincludesultravioletvisiblespectrum,infraredspectrum,absorptionspectrum,fluorescencespectrumandRamanspectrum.Differentspectracanprovideinformationofdifferentmovementsinthematerialmolecules,andthestructureofmatterisunderstoodbymolecularspectro

5、scopy,whichisthepurposeofstudyingmolecularspectra.Thestructureandsymmetryof1.1polyatomicmoleculesThebasicprincipleofquantummechanicstellsusthatanyinformationaboutthemolecularsystemcanbeobtainedaslongasthewavefunctionofthemolecularsystemisknown.AlthoughXueDingewriteamolec

6、ule(Schr?Dinger)equationisnotdifficult,buttobeabletomicrosystemaccuratesolutionisveryfew,mostofthemolecularsystemSchrodingerequationdependsontheapproximationmethod.Therefore,itisverynecessarytosimplifythecomplicatedquantumchemicalcalculationprocessbyusingsomespecialprope

7、rtiesofmolecules.Amongthem,thesymmetryofmoleculesisoneofthemostimportantpropertiesforuse.Hereisabriefintroductiontosomeofthebasicknowledgeofmolecularsymmetryanditsmathematicalrepresentation,andtherelateddetailscanbereferredtotherelevantreferencebooks.1.1.1symmetricelemen

8、tsandsymmetricoperationsObviously,moleculessuchasbenzene,methaneandammoniahavesymmetry,buthowtoquantita

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