caa a22 4500 46323894X CHVBK 20180405153307.0 cr unu---uuuuu 170326e20070101xx s 000 0 eng 10.1007/s10947-007-0005-0 doi (NATIONALLICENCE)springer-10.1007/s10947-007-0005-0 Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II) [Elektronische Daten] [O. Sizova, L. Skripnikov, A. Sokolov, O. Lyubimova] The electronic structure of Ru2(μ-O2CR)4, Ru2(μ-O2CR)4(L)2 and Ru2(μ-O2CR)4(NO)2 (R = H, CH3, CF3; L = H2O, THF) ruthenium tetracarboxylates is analyzed on the basis of calculations by the density functional method with full geometry optimization. It is concluded that the axial coordination of nitric oxide (II) to Ru2(μ-O2CR)4 is accompanied by destruction of the metal-metal π-bond with d πAO Ru reorientation on bonding with NO molecules. Springer Science+Business Media, Inc., 2007 density functional theory nationallicence tetracarboxylates nationallicence ruthenium nationallicence nitric oxide (II) nationallicence Sizova O. St.Petersburg State University, St.Petersburg aut Skripnikov L. St.Petersburg State University, St.Petersburg aut Sokolov A. St.Petersburg State University, St.Petersburg aut Lyubimova O. St.Petersburg State University, St.Petersburg aut Journal of Structural Chemistry Kluwer Academic Publishers-Consultants Bureau 48/1(2007-01-01), 28-36 0022-4766 48:1<28 2007 48 10947 https://doi.org/10.1007/s10947-007-0005-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0005-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Sizova O. St.Petersburg State University, St.Petersburg aut NATIONALLICENCE 700 1- Skripnikov L. St.Petersburg State University, St.Petersburg aut NATIONALLICENCE 700 1- Sokolov A. St.Petersburg State University, St.Petersburg aut NATIONALLICENCE 700 1- Lyubimova O. St.Petersburg State University, St.Petersburg aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Kluwer Academic Publishers-Consultants Bureau 48/1(2007-01-01), 28-36 0022-4766 48:1<28 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer