Theoretical Study of Aln and AlnO (n = 2—10) Clusters

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.     

ChemInform Abstract: Synthesis and Structures of New Ternary Aluminum Chalcogenides: LiAlSe2, α‐LiAlTe2, and β‐LiAlTe2.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Experimental Detection and Theoretical Characterization of Germanium‐Doped Lithium Clusters LinGe (n = 1—7).

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: A Gaussian‐3 Theoretical Study of Small Silicon—Lithium Clusters: Electronic Structures and Electron Affinities of SinLi‐ (n = 2—8).

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Electronic Structure of AlO2, AlO2‐, Al3O5, and Al3O5‐ Clusters.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

First Principles Study of Neutral and Anionic (Medium‐Size) Aluminum Nitride Clusters: AlnNn,n = 7—16.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.     

ChemInform Abstract: The Structure and Energetic of AlAsn (n = 1—15) Clusters: A First‐Principles Study.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

First‐Principles Structures and Stabilities of Al+N (N = 46—62) Clusters.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.     

ChemInform Abstract: Structure,Ionization, and Fragmentation of Hydrogenated Aluminoboron Clusters: Al2B2H2n (n = 0—6).

Energetic and structural stability of Al₂B₂H_2n (n = 0—6) clusters is investigated by DFT calculations and a stochastic search algorithm.     

Structure and Bonding in Cyclic Isomers of BAl2Hnm (n = 3—6, m = ‐2 to +1): Preference for Planar Tetracoordination,Pyramidal Tricoordination,and Divalency

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.     

ChemInform Abstract: Structure and Bonding in Cyclic Isomers of B2AlHnm (n = 3—6, m = ‐2 to +1): A Comparative Study with B3Hnm,BAl2Hnm and Al3Hnm

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Theoretical Study on (Al2O3)n (n = 1—10 and 30) Fullerenes and H2 Adsorption Properties.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

Induced super-halogen behavior of metal moieties in halogen-doped clusters: LinI(-) and AlnI(-), n = 13, 1, 2, 3

A comparative density functional theory (DFT) study of a series of neutral and negative-ionic lithium and aluminum clusters doped with iodine atom is presented. The I atom is found to preserve the same position at Li13 with and without the negative charge and Li13 to vary its shape from prolate to oblate with changing spin state of Li13I. Both the Mulliken and natural charges are considered, the natural-charge separation between the metal and halogen moieties being generally much larger (except for Al13I-). In LinI-, the additional electron is strongly localized on the metal moiety starting from n = 1, even though the electron affinity of Lin is much smaller than that of I. Such a super-halogen behavior of Lin is induced by highly electronegative iodine making the two components charged in LinI and leading to a charge-dipole interaction with the additional electron. In AlnI-, similar factors result in Aln being more negative than I already for n = 3, even though the electron affinity of I is higher, the effect escalating for n = 13.     

ChemInform Abstract: Planarization of B7‐ and B12‐ Clusters by Isoelectronic Substitution: AlB6‐ and AlB11‐.

The structures and chemical bonding of AlB₆^‐ and AlB₁₁^‐ clusters are characterized by PES and DFT calculations.     

ChemInform Abstract: G2(MP2) Molecular Orbital Study of [H3AlXH3]‐ (X: C,Si, and Ge) and H3AlYH3 (Y: N,P, and As) Complexes.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Instability of the Al42‐ “All‐Metal Aromatic” Ion and Its Implications.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

Closo‐alanes (Al4H4, AlnHn+2, 4 ≤ n ≤ 8): A New Chapter in Aluminum Hydride Chemistry.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.     

ChemInform Abstract: Chromium‐Doped Germanium Clusters CrGen (n = 1—5): Geometry,Electronic Structure,and Topology of Chemical Bonding

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.