Chemistry Reference
In-Depth Information
considerable. impact. on. these. clusters,. which. can. change. the. energetic. ordering. of.
the.isomers..Although.the.stability.of.planar.structures.increases.with.the.inclusion.
of.SO.coupling,.it.cannot.make.these.planar.structures.the.most.stable.isomers..The.
lowest.energy.structures.of.Pt
4
,.Pt
5
,.and.Pt
6
.clusters.are.predicted.to.be.the.tetrahe-
dron,.pyramid,.and.trigonal.prism.structures,.respectively..In.general,.SO.coupling.
reduces.both.total.binding.energies.and.HOMO-LUMO.gaps.
10.4 CONCLUSIONS
In.this.chapter,.we.irst.give.a.brief.and.introductory.report.on.the.TMC.and.their.
importance,.in.general,.and.then.list.the.relevant,.currently.available.experimental.
and.computational.methods..By.focusing.on.size-selected.small.Co.and.Pt.clusters.
consisting.of.up.to.a.few.atoms,.which.is.the.size.regime.where.properties.can.change.
drastically.by.addition.or.subtraction.of.a.single.atom.or.even.a.single.electron,.we.
discuss. the. current. state. of. understanding. of. geometric,. electronic,. and. magnetic.
properties.of.neutral.and.anionic.small.cobalt.clusters,.and.the.effect.of.SO.coupling.
on.the.properties.of.small.platinum.clusters..The.present.study.and.references.herein.
should. be. considered. as. just. a. few. examples. of. the. very. active,. fascinating,. and.
promising.research.area.of.TMC..We.believe.that.our.calculations.on.small.Co.and.
Pt.clusters.contribute.to.the.search.of.global.minima,.electronic,.and.magnetic.states.
of.these.clusters.
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