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1、CHEMICALBONDINGAND-....-----~..--~.-.MOLECULARGEOMETRY•••FromLewistoElectronDensitiesRonaldJ.GillespieMcMasterUniversityPaulL.A.PopelierUniversityofManchesterInstituteofScienceandTechnologyNewYorkOxfordOXFORDUNIVERSITYPRESS2001OxfordUniversityPressOxfordNewYorkAthensAu
2、cklandBangkokBogotaBuenosAiresCalcuttaCapeTownChennaiDaresSalaamDelhiFlorenceHongKongIstanbulKarachiKualaLumpurMadridMelbourneMexicoCityMumbaiNairobiParisSaoPauloShanghaiSingaporeTaipeiTokyoTorontoWarsawandassociatedcompaniesinBerlinIbadanCopyright©2001byOxfordUniversi
3、tyPress,Inc.PublishedbyOxfordUniversityPress,Inc.198MadisonAvenue,NewYork,NewYork,10016http://www.oup-usa.orgOxfordisaregisteredtrademarkofOxfordUniversityPressAllrightsreserved.Nopartofthispublicationmaybereproduced,storedinaretrievalsystem,ortransmitted,inanyformorby
4、anymeans,electronic,mechanical,photocopying,recording,orotherwise,withoutthepriorpermissionofOxfordUniversityPress.LibraryofCongressCataloging-in-PublicationDataGillespie,RonaldJ.(RonaldJames)ChemicalbondingandmoleculargeometryfromLewistoelectrondensities/R.i.Gillespie
5、,P.L.A.Popelier.p.cm.-(Topicsininorganicchemistry)Includesbibliographicalreferencesandindex.ISBN0-19-510496-X(ppk),0-19-510495-1(cloth)I.Chemicalbonds-History.2.Molecules-Models.I.Popelier,P.L.A.II.Title.III.SeriesQD461.G5372001541.224-dc2100-025404CoverIllustration:Re
6、presentationsoftheSClzmolecule.Center:SurfacesofthefunctionL=-V2pforL=0au(blue)andL=0.60au(orange).TheL=0.60surfaceshowsthechargeconcentationscorrespondingtothelonepairsonthesulfuratomandtorodialchargeconcentrationsoneachchlorineatom(seealsoFigure7.5).Topleft:TheLewisS
7、truclure.Topright:TheVESPRmodel.Bottomleft:Contourmapoftheelectrondensity.Bottomright:ContourmapofL.Printing(lastdigit):98765432IPrintedintheUnitedStatesofAmericaonacid-freepaperCONTENTSPrefacexiAcknowledgmentsxiiiChapterITheChemicalBond:ClassicalConceptsandTheories1.1
8、Introduction1.2Valence11.3ThePeriodicTableoftheElements21.4StructuralFormulas31.5Stereochemistry51.6TheShellModel61.7
