2012
Transition-Metal-Centered Monocyclic Boron Wheel Clusters (M©B n ): A New Class of Aromatic Borometallic Compounds
Romanescu C, Galeev T, Li W, Boldyrev A, Wang L. Transition-Metal-Centered Monocyclic Boron Wheel Clusters (M©B n ): A New Class of Aromatic Borometallic Compounds. Accounts Of Chemical Research 2012, 46: 350-358. PMID: 23210660, DOI: 10.1021/ar300149a.Peer-Reviewed Original ResearchPlanar boron clustersCentral boron atomTransition metal atomsMetal atomsBoron clustersBoron ringsChemical bondingTransition metalsDouble aromaticitySize-selected anion photoelectron spectroscopyCentral transition metal atomNovel chemical bondingCentral metal atomAnion photoelectron spectroscopyBoron atomsHigh electronic stabilityVariable ring sizeWheel-type structuresNew chemical bondingTwo-electron bondsAb initio calculationsSmall boron clustersCluster compoundsBetter nanosystemsCentral boronExperimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8 − and Fe©B9 −
Romanescu C, Galeev T, Sergeeva A, Li W, Wang L, Boldyrev A. Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8 − and Fe©B9 −. Journal Of Organometallic Chemistry 2012, 721: 148-154. DOI: 10.1016/j.jorganchem.2012.07.050.Peer-Reviewed Original ResearchWheel-type structuresBoron clustersLaser-vaporization supersonic molecular beamsMetal-doped boron clustersChemical bonding analysisAb initio studySupersonic molecular beamBonding analysisPhotoelectron spectroscopyInitio studyBoron ringsIron atomsDelocalized bondsComputational evidenceFe atomsMolecular beamAtomsFeGround stateSpectroscopyBondsStructureDesign principlesOctaClusters
2011
Aluminum 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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