Chemical bonding analysis and properties of La7Os4C9—A new structure type containing C- and C2-units as Os-coordinating ligands

Electronic Structure and Chemical Bonding of La7Os4C9

“…1 The crystal structure of La7Os4C9 is shown in Figure 1 C … C edge. The Os2 atoms are surrounded by two C atoms and one end-on C 2 pair at the rather short distance of about 193 pm.…”

“…[1][2][3][4][5][6][7] The rare earth element in these ternary systems is a highly electropositive multivalent metal. Complete ionization of the electropositive metal leads to a transition metal-carbon polyanionic substructure where the carbon atoms are more or less covalently bonded to the transition metal atoms, frequently forming organometallic polymers.…”

Molecular Lanthanoid–Transition‐Metal Cluster through CH Bond Activation by Polar Metal–Metal Bonds

“…[20] The quantum chemical analysis of chemical bonding with focus on rare earthtransition metal interactions was performed, as in our thematically related investigations on organometallic molecules [7,9,10] and intermetallic solids, [21,22] on the basis of electronic properties in position space. The employed quantities are the electron density and the electron localizability indicator ELI-D. [23] Topological analysis of the electron density and ELI-D yields the QTAIM atoms (QTAIM method [24] ) and atomic shells, bond and lone-pair regions, respectively.…”

Molekulare Lanthanoid‐Übergangsmetall‐Cluster mittels C‐H‐Bindungsaktivierung an polaren Metall‐Metall‐Bindungen

“…Eine entsprechende Beobachtung wurde bereits bei der Analyse der schwächer populierten Vierzentren-und der stärker populierten Sechszentren-Os-La-Bindungen in der Festkörperverbindung La 7 Os 4 C 9 gemacht. [21] Es deutet sich also ein direkter Zusammenhang an zwischen der Zahl der Elektronen in einem Zweizentren-oder Mehrzentren-ÜM-Ln n -Bindungsbassin und der Zahl n der signifikant beteiligten Seltenerdmetall-Atome.…”

“…Die Polarität der Re-Lu-Bindung wurde wie auch in verwandten Arbeiten [7,9,10,21,22] mit der Methode der ELI-D/ QTAIM-Intersektion bestimmt (in Analogie zu Lit. [29]).…”