Transition-Metal-Centered Nine-Membered Boron Rings: MⓒB9 and MⓒB9 – (M = Rh, Ir)
Li W, Romanescu C, Galeev T, Piazza Z, Boldyrev A, Wang L. Transition-Metal-Centered Nine-Membered Boron Rings: MⓒB9 and MⓒB9 – (M = Rh, Ir). Journal Of The American Chemical Society 2011, 134: 165-168. PMID: 22148745, DOI: 10.1021/ja209808k.Peer-Reviewed Original ResearchBoron ringsLaser-vaporization supersonic molecular beamsCentral metal atomLarge HOMO-LUMO gapChemical bonding analysisHOMO-LUMO gapAb initio calculationsAnion photoelectron spectraSupersonic molecular beamBonding analysisPhotoelectron spectroscopyMetal atomsMolecular wheelsTransition metalsInitio calculationsΣ electronsPhotoelectron spectraIRTheoretical calculationsB-ringMolecular beamNew classRhShell speciesRingAluminum Avoids the Central Position in AlB9 – and AlB10 –: Photoelectron Spectroscopy and ab Initio Study
Li W, Romanescu C, Galeev T, Wang L, Boldyrev A. Aluminum Avoids the Central Position in AlB9 – and AlB10 –: Photoelectron Spectroscopy and ab Initio Study. The Journal Of Physical Chemistry A 2011, 115: 10391-10397. PMID: 21800920, DOI: 10.1021/jp205873g.Peer-Reviewed Original ResearchAb initio studyPhotoelectron spectroscopyInitio studyHigh-level ab initio studyUnbiased global minimum searchesCoalescence Kick methodJoint photoelectron spectroscopyWheel-type structuresChemical bonding analysisVertical electron detachment energiesElectron detachment energiesGlobal minimum structureGlobal minimum searchBonding analysisDetachment energiesAromatic systemsBoron clustersElectronic propertiesQuasi-planar structuresPhotoelectron spectraMinimum structureVibrational structureAl atomsAnionsKick method
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