Preparation of organozirconium aromatic compounds in mixed aqueous-organic solvents: X-ray structures of [Cp2ZrCl(μ2-O′,O′′C-C6H5)], [(CpZr)3(μ2-O′,O′′C-C6H3Cl2)3(μ3-OH)(μ2-OH)3](Cl2C6H3COO)2, and [(CpZr)3(μ2-O′,O′′C-C6H4Cl)3(μ3-OH)(μ2-OH)3]Cl2·CH2Cl2

Li, Jinling; Gao, Ziwei; Han, Li; Gao, Lingxiang; Zhang, Caiyun; Tikkanen, Wayne

doi:10.1016/j.jorganchem.2009.06.032

Cited by 15 publications

(13 citation statements)

References 44 publications

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“…The broad band at 1300e1400 cm À1 might also be due to BeO stretching [26]. [27]. The integral area ratio between H in cyclopentadienyl and that in BH 4 is 10.00:8.13, which agrees well with the theoretical value, 10:8.…”

Section: Ft Irsupporting

confidence: 85%

Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

Xie

Deng

Suo

et al. 2015

Materials Chemistry and Physics

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Section: Ft Irsupporting

confidence: 85%

Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

Xie

Deng

Suo

et al. 2015

Materials Chemistry and Physics

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“…In a first attempt to generate Cp*Zr(IV) carboxylate metallocavitands, a similar approach to the synthesis of CpZr(IV) carboxylate species was carried out. It was shown that the addition of carboxylic acids to a solution of Cp 2 ZrCl 2 in a dichloromethane and water solution at pH 7 could afford a species of general structure [(CpZr) 3 (κ 2 ,O′,O″CR) 3 (μ 3 -O)(μ 2 -OH) 3 ]·HCl . As one might expect, the addition of benzoic acid to Cp* 2 ZrCl 2 did not afford the trimetallic cluster but rather species Cp* 2 ZrCl(κ 2 -OOCPh) ( 1 ), as illustrated in Scheme .…”

Section: Resultsmentioning

confidence: 99%

“…In order to increase the stability of the metallocavitands, the synthesis of zirconium(IV) carboxylate half-sandwich metallocavitands was carried out . Following reported procedures, the addition of carboxylate ligands to Cp 2 ZrCl 2 afforded trimetallic clusters having structural properties similar to the tantalum metallocavitands, but with a metallic core stabilized by a μ 3 -O, three μ 2 -OH, and three μ 2 -O 2 CR bridges (Scheme B). We demonstrated that the incorporation of nitrogen-containing carboxylate moieties, such as carbazole and diphenylamine, in these zirconium metallocavitands could increase the blue luminescence properties of the pristine organic chromophores, and that the incorporation of exTTF units on the carboxylate ligands could generate hosts for fullerenes .…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands

Daigle

Légaré

et al. 2015

Inorg. Chem.

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With the intent of generating metallocavitands isostructural to species [(CpZr)3(μ(3)-O)(μ(2)-OH)3(κO,O,μ(2)-O2C(R))3](+), the reaction of Cp*2ZrCl2 and Cp*ZrCl3 with phenylcarboxylic acids was carried out. Depending on the reaction conditions, five new complexes were obtained, which consisted of Cp*2ZrCl(κ(2)-OOCPh) (1), (Cp*ZrCl(κ(2)-OOCPh))2(μ-κ(2)-OOCPh)2 (2), [(Cp*Zr(κ(2)-OOCPh))2(μ-κ(2)-OOCPh)2(μ(2)-OH)2]·Et2O (3·Et2O), [[Cp*ZrCl2](μ-Cl)(μ-OH)(μ-O2CC6H5)[Cp*Zr]]2(μ-O2CC6H5)2 (4), and [Cp*ZrCl4][(Cp*Zr)3(κ2-OOC(C6H4Br)3(μ3-O)(μ2-Cl)2(μ2-OH)] [5](+)[Cp*ZrCl4](-). The structural characterization of the five complexes was carried out. Species 3·Et2O exhibits host-guest properties where the diethyl ether molecule is included in a cavity formed by two carboxylate moieties. The secondary interactions between the cavity and the diethyl ether molecule affect the structural parameters of the complex, as demonstrated be the comparison of the density functional theory models for 3 and 3·Et2O. Species 5 was shown to be isostructural to the [(CpZr)3(μ(3)-O)(μ(2)-OH)3(κO,O,μ(2)-O2C(R))3](+) metallocavitands.

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“…According to the differential Fourier map, more acetone molecules can be assigned in the structure, but they are heavily disordered over different 2.10-2.14 Å, respectively. 18,19 Table 1. Interatomic distances in the metallic core of zirconium and tantalum metallocavitands.…”

Section: Structural Study Of the Metallocavitandsmentioning

confidence: 99%

“…It is possible to demonstrate that the presence of the metallic core as a positive influence on the blue luminescence of the conjugated carboxylate ligands. 19 and 19 (carbon in gray; chlorine in green; oxygen in red; zirconium in cyan).…”

Section: Introductionmentioning

confidence: 99%

Zirconium(IV) Metallocavitands As Blue-Emitting Materials

Iden

Morin

et al. 2014

Inorg. Chem.

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A series of zirconium-carboxylate metallocavitands with the general formula [(CpZr)3(μ-κ2,O',O″CR)3(μ3-O)(μ2-OH)3]Cl (Cp = cyclopentadienyl; R = C5H4N (5), C6H7N (6), C18H14N (7), and C18H12N (8)) were synthesized in moderate to high yields (40-83%) by reacting the corresponding carboxylic acids 1-4 with Cp2ZrCl2 in a self-assembly procedure at room temperature. The metallocavitands were characterized using (1)H and (13)C NMR spectroscopy and by single-crystal X-ray diffraction. Complexes 7 and 8 exhibit efficient photoluminescence properties in solution. The photoluminescence peak of 7 was observed at 464 nm and that of 8 at 422 nm with respective quantum yields in solution of 87 and 65%.

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Preparation of organozirconium aromatic compounds in mixed aqueous-organic solvents: X-ray structures of [Cp2ZrCl(μ2-O′,O′′C-C6H5)], [(CpZr)3(μ2-O′,O′′C-C6H3Cl2)3(μ3-OH)(μ2-OH)3](Cl2C6H3COO)2, and [(CpZr)3(μ2-O′,O′′C-C6H4Cl)3(μ3-OH)(μ2-OH)3]Cl2·CH2Cl2

Cited by 15 publications

References 44 publications

Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands

Zirconium(IV) Metallocavitands As Blue-Emitting Materials

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