“…In addition to two previous crystal structure reports on 1‚0.5nmp (nmp ) 1-methyl-2-pyrrolidinone) 4 and 1‚dmf (dmf ) N,N-dimethylformamide) 12 we have now obtained crystals of the solvent-free mononuclear complex (bpym)PtCl 2 (Table 1). Whereas the intramolecular structure parameters (Table 2) of the two independent molecules (Figure 1) in the solvent-free crystals are unsurprising and essentially as observed before 4,12 and calculated by DFT (see Table 3), the arrangement of molecules exhibits an interesting variation to a much studied theme: 1,2,4,5, 12,43,44 the two independent molecules in the unit cell undergo two different kinds of stacking aggregation (Figure 2). Molecule A (with Pt1) exhibits some similarity with the red form of (bpy)Pt(NCS) 2 .…”
Section: Resultsmentioning
confidence: 67%
“…This compound has been prepared in analogy to previous reports. and diffraction studies of the orange-red dmf solvate 12 and of the red solvent-free form confirmed the identity of the product. Solventfree 1 was obtained in single crystal form through slow evaporation from a dmf solution at elevated temperature (320 K).…”
Section: Methodsmentioning
confidence: 68%
“…10,11 It was reported that (bpym)PtCl 2 (1), bpym ) 2,2′-bipyrimidine, is a robust catalyst precursor for efficient methane oxidation to methanol. 11a Whereas 1 has been studied since 1978 2 and two crystal structure analyses of solvated (bpym)PtCl 2 have appeared more recently, 4, 12 it was reported that the obvious extension, the dinuclear compound (µ-bpym)[PtCl 2 ] 2 , could not be obtained. 2 To our knowledge, there has not yet been any report of solution properties of a bis(dichloroplatinum(II)) complex with a π-conjugated bridging ligand.…”
The complexes (bpym)PtCl(2) (1) and the new (micro-bpym)[PtCl(2)](2) (2), bpym = 2,2'-bipyrimidine, were synthesized and, in the case of 1, crystallized in solvent-free form for X-ray diffraction. The molecules 1 exhibit two different kinds of stacking motifs in the crystal with an interstack CH--N interaction. Complexes 1 and 2 were found to be sufficiently soluble for cyclic voltammetry, spectroscopy (absorption and emission), and spectroelectrochemical studies (UV-vis, EPR). As a result of single or double coordination of the strongly sigma-accepting [PtCl(2)] fragment to bpym, the paramagnetic anions 1(*)(-)() and 2(*)(-)() and the dianions 1(2-) and 2(2-) could be reversibly generated, despite the presence of metal-halide bonds. DFT calculations of A((195)Pt) and g tensor components confirm that the singly occupied MOs of the monoanionic species have mainly pi(bpym) character with nonnegligible platinum d orbital participation. The assignments of the electronic absorption and emission and resonance Raman spectra for both complexes are supported by DFT calculations.
“…In addition to two previous crystal structure reports on 1‚0.5nmp (nmp ) 1-methyl-2-pyrrolidinone) 4 and 1‚dmf (dmf ) N,N-dimethylformamide) 12 we have now obtained crystals of the solvent-free mononuclear complex (bpym)PtCl 2 (Table 1). Whereas the intramolecular structure parameters (Table 2) of the two independent molecules (Figure 1) in the solvent-free crystals are unsurprising and essentially as observed before 4,12 and calculated by DFT (see Table 3), the arrangement of molecules exhibits an interesting variation to a much studied theme: 1,2,4,5, 12,43,44 the two independent molecules in the unit cell undergo two different kinds of stacking aggregation (Figure 2). Molecule A (with Pt1) exhibits some similarity with the red form of (bpy)Pt(NCS) 2 .…”
Section: Resultsmentioning
confidence: 67%
“…This compound has been prepared in analogy to previous reports. and diffraction studies of the orange-red dmf solvate 12 and of the red solvent-free form confirmed the identity of the product. Solventfree 1 was obtained in single crystal form through slow evaporation from a dmf solution at elevated temperature (320 K).…”
Section: Methodsmentioning
confidence: 68%
“…10,11 It was reported that (bpym)PtCl 2 (1), bpym ) 2,2′-bipyrimidine, is a robust catalyst precursor for efficient methane oxidation to methanol. 11a Whereas 1 has been studied since 1978 2 and two crystal structure analyses of solvated (bpym)PtCl 2 have appeared more recently, 4, 12 it was reported that the obvious extension, the dinuclear compound (µ-bpym)[PtCl 2 ] 2 , could not be obtained. 2 To our knowledge, there has not yet been any report of solution properties of a bis(dichloroplatinum(II)) complex with a π-conjugated bridging ligand.…”
The complexes (bpym)PtCl(2) (1) and the new (micro-bpym)[PtCl(2)](2) (2), bpym = 2,2'-bipyrimidine, were synthesized and, in the case of 1, crystallized in solvent-free form for X-ray diffraction. The molecules 1 exhibit two different kinds of stacking motifs in the crystal with an interstack CH--N interaction. Complexes 1 and 2 were found to be sufficiently soluble for cyclic voltammetry, spectroscopy (absorption and emission), and spectroelectrochemical studies (UV-vis, EPR). As a result of single or double coordination of the strongly sigma-accepting [PtCl(2)] fragment to bpym, the paramagnetic anions 1(*)(-)() and 2(*)(-)() and the dianions 1(2-) and 2(2-) could be reversibly generated, despite the presence of metal-halide bonds. DFT calculations of A((195)Pt) and g tensor components confirm that the singly occupied MOs of the monoanionic species have mainly pi(bpym) character with nonnegligible platinum d orbital participation. The assignments of the electronic absorption and emission and resonance Raman spectra for both complexes are supported by DFT calculations.
“…The cations in both crystals are very similar; in particular, the Pt−Cl and Pt−N distances are the same within the estimated standard deviations. The numbers also do not differ much from those found in the various crystallographic forms of the precursor [bpyr PtCl 2 ]. − 1 Crystal structure of the cation including the hydrogen bridged SbF 6 - anions in I with displacement ellipsoids at the 50% probability level. (a) View perpendicular to the major plane.…”
Section: Resultsmentioning
confidence: 94%
“…The numbers also do not differ much from those found in the various crystallographic forms of the precursor [bpyr PtCl 2 ]. [11][12][13] One striking difference is the nonplanarity in I and planarity in II of the Pt 2 Cl 2 ring, see Figures 1 and 2. Planarity is observed also in the only other dimeric cationic nitrogen chlorine complexes [(tmeda)PtCl 2 Pt(tmeda)] 2+14 and [(CH 3 C(p-tol)N) 2 ][PtCl 2 Pt (N(p-tol)CCH 3 ) 2 ] 2+ .…”
The methane oxidation catalyst [bpyrPtCl(2)] (bpyr = bis-pyrimidine) dissolves in superacidic HF/SbF(5) solution under formation of a dinuclear cation [H(2)bpyrPt(mu-Cl)(2)PtbpyrH(2)](6+). Two crystal forms are isolated, [Pt(2)Cl(2)bpyr(2)H(4)](6+)(SbF(6)(-))(4)(Sb(2)F(11)(-))(2).2HF (I) (triclinic, Ponemacr;, a = 814.8(2) pm, b = 1444.8(3) pm, c = 2300.5(5) pm, alpha = 89.627(4) degrees, beta = 84.285(4) degrees, gamma = 84.665(4) degrees, Z = 2) and [Pt(2)Cl(2)bpyrH(4)](6+)(Sb(2)F(11)(-))(6).4HF (II) (triclinic, Ponemacr;, a = 879.4(2) pm, b = 1170.4(3) pm, c = 1789.9(5) pm, alpha = 95.37(2) degrees, beta = 99.97(2) degrees, gamma = 100.41(2) degrees, Z = 1). The cation in I has an angle of 148.4(1) degrees between the two square plane platinum environments, while the cation in II is fully planar. The non-platinum-bound nitrogen atoms are all protonated in the superacidic medium.
Compounds of type [MX 2 (Hpben)] [M ϭ Pd (X ϭ Cl), Pt (X ϭ Cl, I); Hpben ϭ 2-(2Ј-pyridyl)benzimidazole] were prepared and characterized, and the structures of the Pt derivatives were determined by X-ray crystallography. The crystals of [PtI 2 (Hpben)] consist of discrete units in which the Pt atom is coordinated to two iodine atoms and to pyridine and imidazole N atoms in a distorted square planar arrangement. The structure of the chloro derivative is similar, except that the [PtCl 2 (Hpben)] monomers are hydrogenbonded in zig-zag chains. In assays of the interactions of the Pd
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