Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes

Different synthetic routes were applied to synthesize mixed crystals of [CoxNi1−x(NCS)2(4-tert-butylpyridine)2]n that finally results in homogeneous samples for which the critical temperature can be tuned as function of the Co : Ni ratio.

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Luminescent spherical particles of lanthanide-based infinite coordination polymers with tailorable sizes

CrystEngComm ◽

10.1039/d0ce00155d ◽

2020 ◽

Vol 22 (14) ◽

pp. 2439-2446

Author(s):

Guilherme Arroyos ◽

Regina C. G. Frem

Keyword(s):

Coordination Polymers ◽

Spherical Particles ◽

Synthetic Routes ◽

Size And Morphology

The influence of three different synthetic routes on the size and morphology of luminescent lanthanide-based infinite coordination polymers was investigated.

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Facile synthetic routes for photocatalytic Pb3(BTC)2·H2O coordination polymers

RSC Advances ◽

10.1039/d1ra03346h ◽

2021 ◽

Vol 11 (36) ◽

pp. 21979-21985

Author(s):

Jinxiu Ma ◽

Zhijuan Feng ◽

Jianyu Wei ◽

Feng Li ◽

Taohai Li ◽

...

Keyword(s):

Coordination Polymers ◽

Photocatalytic Performance ◽

Reaction Conditions ◽

Synthetic Routes

Pb3(BTC)2·H2O was fabricated by hydrothermal, ultrasonic and reflux methods. The results indicated that different reaction conditions have a great impact on the photocatalytic performance of the products.

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Coordination polymers: Pot luck

Nature China ◽

10.1038/nchina.2007.97 ◽

2007 ◽

Author(s):

Anne Pichon

Keyword(s):

Coordination Polymers

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Discovery of a Difluoroglycine Synthesis Method through Quantum Chemical Calculations

10.26434/chemrxiv.11550057.v1 ◽

2020 ◽

Author(s):

Tsuyoshi Mita ◽

Yu Harabuchi ◽

Satoshi Maeda

Keyword(s):

Quantum Chemical Calculations ◽

Experimental Verification ◽

Quantum Chemical ◽

Synthesis Method ◽

Target Product ◽

Systematic Exploration ◽

Hands On ◽

Retrosynthetic Analysis ◽

Synthetic Routes ◽

Verification Process

The systematic exploration of synthetic pathways to afford a desired product through quantum chemical calculations remains a considerable challenge. In 2013, Maeda et al. introduced ‘quantum chemistry aided retrosynthetic analysis’ (QCaRA), which uses quantum chemical calculations to search systematically for decomposition paths of the target product and propose a synthesis method. However, until now, no new reactions suggested by QCaRA have been reported to lead to experimental discoveries. Using a difluoroglycine derivative as a target, this study investigated the ability of QCaRA to suggest various synthetic paths to the target without relying on previous data or the knowledge and experience of chemists. Furthermore, experimental verification of the seemingly most promising path led to the discovery of a synthesis method for the difluoroglycine derivative. The extent of the hands-on expertise of chemists required during the verification process was also evaluated. These insights are expected to advance the applicability of QCaRA to the discovery of viable experimental synthetic routes.

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Discovery of a Difluoroglycine Synthesis Method through Quantum Chemical Calculations

10.26434/chemrxiv.11550057 ◽

2020 ◽

Author(s):

Tsuyoshi Mita ◽

Yu Harabuchi ◽

Satoshi Maeda

Keyword(s):

Quantum Chemical Calculations ◽

Experimental Verification ◽

Quantum Chemical ◽

Synthesis Method ◽

Target Product ◽

Systematic Exploration ◽

Hands On ◽

Retrosynthetic Analysis ◽

Synthetic Routes ◽

Verification Process

The systematic exploration of synthetic pathways to afford a desired product through quantum chemical calculations remains a considerable challenge. In 2013, Maeda et al. introduced ‘quantum chemistry aided retrosynthetic analysis’ (QCaRA), which uses quantum chemical calculations to search systematically for decomposition paths of the target product and propose a synthesis method. However, until now, no new reactions suggested by QCaRA have been reported to lead to experimental discoveries. Using a difluoroglycine derivative as a target, this study investigated the ability of QCaRA to suggest various synthetic paths to the target without relying on previous data or the knowledge and experience of chemists. Furthermore, experimental verification of the seemingly most promising path led to the discovery of a synthesis method for the difluoroglycine derivative. The extent of the hands-on expertise of chemists required during the verification process was also evaluated. These insights are expected to advance the applicability of QCaRA to the discovery of viable experimental synthetic routes.

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Three-Component [1+1+1] Cyclopropanation with Ruthenium(II)

10.26434/chemrxiv.6025772 ◽

2018 ◽

Author(s):

Tanner C. Jankins ◽

Robert R. Fayzullin ◽

Eugene Khaskin

Keyword(s):

Quaternary Carbon ◽

Poor Control ◽

One Step ◽

Synthetic Routes ◽

Mechanistic Investigations ◽

Chiral Centers ◽

Metal Catalyzed ◽

The Right ◽

Substituted Cyclopropanes

We report a one-step, Ru(II)-catalyzed cyclopropanation reaction that is conceptually different from the previously reported protocols that include Corey-Chaykovsky, Simmons-Smith, and metal catalyzed carbene attack on olefins. Under the current protocol, various alcohols are transformed into sulfone substituted cyclopropanes with excellent isolated yields and diastereoselectivities. This new reaction forms highly congested cyclopropane products with three new C–C bonds, three or two new chiral centers and one new quaternary carbon center. 22 examples of isolated substrates are given. Previously reported synthetic routes for similar substrates are all multi-step, linear routes that proceed with overall low yields and poor control of stereochemistry. Experimental mechanistic investigations suggest initial metal-catalyzed dehydrogenation of the alcohol substrate and catalyst independent stepwise attack of two equivalents of sulfone on the aldehyde under basic conditions. While the Ru(II) is only responsible for the initial dehydrogenation step, the rate of aldehyde formation is crucial to maintaining the right balance of intermediates needed to afford the cyclopropane product.

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