Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

Krause, Lennard; Herbst‐Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar

doi:10.1107/s1600576714022985

Cited by 3,810 publications

(2,087 citation statements)

References 34 publications

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“…Carbon dioxide can be used as a chemical feedstock for the production of fuels like formic acid, carbon monoxide, formaldehyde, methanol or hydrocarbons for example methane. CO 2 can also be used in the production of chemicals that involves the entire CO 2 molecule incorporation, providing compounds like urea, salicylic acid, carbamates, carboxylate, polyurethane, inorganic carbonate, hydrogen carbonate, cyclic/linear carbonate or polycarbonate [1,7,[21][22][23]. is made up by the production of urea.…”

Section: Carbon Dioxide Utilizationmentioning

confidence: 99%

“…Data collection was done on a Bruker AXS TXS rotating anode system with an APEXII Pt 135 CCD detector using graphite-monochromated Mo Kα radiation (λ = 0.710 73 Å). Data collection and data processing were done using APEX2 [20], SAINT [21], and SADABS [22] version 2012/1,whereas structure solution and final model refinement were done using SHELXS [23] …”

Section: X-ray Crystallography and Crystal Structure Determinationmentioning

confidence: 99%

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Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Quadri

Roux

2014

Dalton Trans.

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Section: Carbon Dioxide Utilizationmentioning

confidence: 99%

Section: X-ray Crystallography and Crystal Structure Determinationmentioning

confidence: 99%

Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Quadri

Roux

2014

Dalton Trans.

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“…The data were processed using Bruker APEX3 software and corrected for absorption using empirical methods (SADABS) based upon symmetry-equivalent reflections combined with measurements at different azimuthal angles. 40 The crystal structures were solved and refined using the Bruker SHELXTL software package. …”

Section: X-ray Crystallographymentioning

confidence: 99%

Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO₂ Reduction

et al. 2016

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Manganese tricarbonyl bromide complexes incorporating IP (2-[(phenylimino)]pyridine) derivatives, [MnBr(CO) 3 (IP)], are demonstrated as a new group of catalysts for CO 2 reduction, which represent the first example of utilization of phenylimino pyridine ligands on manganese centers for this purpose. The key feature is the asymmetric structure of the redox non-innocent ligand that permits independent tuning of its steric and electronic properties. The -diimine ligands and five new Mn(I) compounds have been synthesized, isolated in high yields and fully characterized, including X-ray crystallography. Their electrochemical and electrocatalytic behavior was investigated using cyclic voltammetry and UV-vis /IR spectroelectrochemistry within an OTTLE cell. Mechanistic investigations under an inert atmosphere have revealed differences in the nature of the reduction products as a function of steric bulk of the ligand. The direct ECE (electrochemical-chemical-electrochemical) formation of a five-coordinate anion [Mn(CO) 3 (IP)] -, a product of 2-electron reduction of the parent complex, is observed in case of the bulky The interest in solar fuels in terms of both photocatalytic and electrocatalytic CO 2 reduction 1 , in the latter case utilizing sustainable electricity, has been increasing markedly in the new millennium. The recent demonstration of the electrocatalytic activity of manganese 2 analogues of the archetypal Re(I) catalysts 3,4,5,6 for CO 2 reduction has given a new impetus to research into noble-metal-free catalytic systems. [MnBr(CO) 3 ( -diimine)] complexes have been shown to outperform rhenium-based analogues with regard to CO 2 reduction under certain conditions. 7 Most notably, the presence of a Brönsted acid 7-10 appears to be a prerequisite for catalysis with a range of tricarbonyl Mndiimine complexes. Mechanistic studies 5,10 of the active 2,2 -bipyridine-based (Rbpy) manganese catalysts have shown that one-electron reduction of the parent complex [MnBr(CO) 3 (R-bpy)] precursor results in the formation of the Mn Mn dimer [Mn(CO) 3 (Rbpy)] 2 . 8,9 Notably, neither the primary reduction product [MnBr(CO) 3 (R-bpy )] nor the five-coordinate radical intermediates [Mn(CO) 3 (R-bpy)] have been detected by either UV-vis or IR spectroscopy. 2,7 Nanosecond time-resolved infrared (TRIR) studies reveal that no detectable solvent adduct is formed before the dimerization of Mn species on this timescale; instead, the five-coordinate species is observed, which rapidly dimerises. 10 For some of the Re analogues, a one-electron reduced complex, [ReCl(CO) 3 (R-bpy )] was observed by IR spectroscopy and identified by the ca. 15-20 cm -1 decrease in the (CO) energy, 11,12,13 as was the five-coordinate radical [Re(CO) 3 ( t Bubpy)] by an additional 15-20 cm -1 shift .Two mechanisms have been proposed 10,14-18 for the ultimate reduction of [Mn(CO) 3 ( -diimine)] 2 in the presence of CO 2 , which can be referred to as the anionic, and the oxidative addition 19 pathways. The anionic pathway involves reduction of ...

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“…The program APEX II v.2011.8‐0 was used for data collection and reduction 29. Absorption correction and scaling was performed using SADABS 30. The crystal structure solution was achieved using direct methods as implemented in SHELXTL version 6.1431 and visualized using the XP program 31.…”

Section: Methodsmentioning

confidence: 99%

Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer

et al. 2017

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Selective inhibition of exclusively transcription‐regulating PTEFb/CDK9 is a promising new approach in cancer therapy. Starting from lead compound BAY‐958, lead optimization efforts strictly focusing on kinase selectivity, physicochemical and DMPK properties finally led to the identification of the orally available clinical candidate atuveciclib (BAY 1143572). Structurally characterized by an unusual benzyl sulfoximine group, BAY 1143572 exhibited the best overall profile in vitro and in vivo, including high efficacy and good tolerability in xenograft models in mice and rats. BAY 1143572 is the first potent and highly selective PTEFb/CDK9 inhibitor to enter clinical trials for the treatment of cancer.

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Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

Cited by 3,810 publications

References 34 publications

Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO₂ Reduction

Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer

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Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

Cited by 3,810 publications

References 34 publications

Copolymerization of cyclohexene oxide with CO2catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Copolymerization of cyclohexene oxide with CO2catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO2 Reduction

Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer

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Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Copolymerization of cyclohexene oxide with CO₂catalyzed by tridentate N-heterocyclic carbene titanium(iv) complexes

Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO₂ Reduction