Crystal structure refinement for trans-[Pd(NO3)2(H2O)2]

Single Pd Atoms on θ-Al2O3 (010) Surface do not Catalyze NO Oxidation

“…The PDOS analysis also shows unoccupied 5d xy supporting a d 9 oxidation state for Pd [Figure S5]. This structure is similar to nitrate complexes of Pd where nitrate bonds to Pd in monodentate mode 48, 49 . The three calculated transition states (i–iii) as well as optimized image ii are shown in Fig.…”

trans-Bis(1-cyclohexylpyrrolidin-2-one)dinitratopalladium(II)

“…As mentioned above, the skeletal structure of trans-Pd(NO 3 ) 2 (NCP) 2 is almost same as that of trans-Pd(NO 3 ) 2 (H 2 O) 2 . However, the Pd-O(NO 3 ) distance in trans-Pd(NO 3 ) 2 (NCP) 2 is slightly longer than that in trans- (Khranenko et al(2007)), and the Pd-O(NCP) distance is 0.02 Å shorter than the Pd-O(water) distance (2.030 (5) Å). The differences in Pd-O(L) (L = H 2 O or NCP) distances are considered to be due to those in electron donicity of L, that is, the donor number (28.6) of NCP is larger than that (18.0) of water (Gutmann, 1967, Gutmann,1968, Koshino et al, 2005.…”

“…The cyclohexyl group of NCP is torsional to pyrrolidone ring. Khranenko et al (2007). This reflects the fact that in the trans-Pd(NO 3 ) 2 (NCP) 2 complex nitrate coordinates to Pd II as the unidentate ligand.…”

“…For the structures of ambidentate ligand complexes of Pd II , see: Johnson et al (1981);Johansson et al (2001); Langs et al (1967). For the structures of nitrate complexes of Pd II , see: Bennett et al (1967); Adrian et al (2006); Rath et al (1999); Bray et al (2005); Cerdà et al (2006); Gromilov et al (2008); Khranenko et al (2007); Laligant et al (1991). For a discussion on the relationship between bond lengths and ligand donicities, see: Gutmann (1967Gutmann ( , 1968; Koshino et al (2005).…”

“…In a similar manner to amides, Pd II complexes with S-and O-bonded DMSO have been reported, such as trans-PdCl 2 (DMSO) 2 with two S-bonded DMSO, and Pd(DMSO) 4 (BF 4 ) 2 .DMSO with two S-and O-bonded DMSO and a solvated DMSO (Johansson et al, 1981;Johansson et al, 2001;Langs et al, 1967). In Pd II nitrate complexes, some crystal structures with S-, P-, N-, or O-donor ligand have been reported, e.g., cis-Pd(NO 3 ) 2 (DMSO) 2 , (Bennett et al, 1967) Pd(NO 3 ) 2 (dppm).3CDCl 3 (dppm = bis(diphenylphosphino)methane), (Adrian et al, 2006;Rath et al, 1999) enPd(NO 3 ) 2 (en = ethylenediamine), (Bray et al,2005;Cerdà et al, 2006) and trans-Pd(NO 3 ) 2 (H 2 O) 2 (Gromilov et al, 2008;Khranenko et al, 2007;Laligant et al, 1991). In all of these complexes, nitrate coordinates to Pd II as the oxygen donor unidentate ligand.…”