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1、Vol.10,1977ElectrolyteTheory371SummaryandFutureDirectionssimpleHOMO-LEMOpicture.Forexample,thedi-rectionofthemostpositiveelectrostaticpotentialandAswehavetriedtoindicate,thestudyofnoncovalentthesiteofthelargestLEMOcoefficientinSOzcoincidecomplexesinvolvesa
2、fruitfulinterplaybetweentheoryandexperiment.Wehaveconcentratedourattention(abovethemolecularplane,approximatelyoverthesulfur).Thus,itislikelythatsomeofthefeaturesofmainlyonthestructureandbindingenergyofsuchourchargedistributionscanbeusedtorationalizecomple
3、xes;muchtheoreticalandexperimentalworkhasconcerneditselfwithspectroscopicproperties(NMR,chemicalreactivityaswellasnoncovalentinteractions.Forthepurposeofnoncovalentinteractions,wehaveUV,IR),butwehavenothadspaceheretodiscussstressedtheelectrostaticaspects,r
4、atherthanthethe~e.~,~’ItisanimportantthemeofourworkthattheHOMO-LEMOaspects,ofthechargedistributions“electrostatic”propertiesofmoleculesareakeytothebecauseofthemanyexamplesdiscussedaboveinwhichstructureandenergyoftheirinteractions,andwehavetheelectrostaticc
5、omponenthasbeenthedominanttriedtoputallnoncovalentbondingintoasingledeterminantofdirectionality.WehaveconcentratedinthisAccountonintermo-picture.Wedonotfeelthereisanythingintrinsicallyspecialabouthydrogenbonding,vanderWaalscom-leculareffects,buttherehavebe
6、enanumberofabplexes,charge-transferinteractions,orionicinteractionsinitiostudiesonintramolecularinteractions.Theseindicatethatelectrostaticeffects,afterfactoringoutthebutfeelallare,tofirstorder,electrostaticinteractions.Theotherenergycomponentsareimportant
7、,andweintramoleculargeometryconstraintsandtheenergetichavetriedtoshowspecificexamplesofthis.However,contributionsfromeclipsedbondsandothertypesofitisouropinionthattheapproachoutlinedaboveisthe“strain”,canprovideaqualitativepredictionofstrengthmostsensiblew
8、aytothinkaboutthedirectionalityandanddirectionalityofmanyintramolecularnoncovalentrelativeenergiesofmostnoncovalentinteraction^.^^interaction^.^^NotonlydoesitgiveasimplewaytosemiquantitativelyWearegratefultot
