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MMENT>Computational study of complete methanol dehydrogenation on Au(100) and Au(310) surfaces: Dominant role of atomic oxygen

A. Hussain, S.H. Shah, A. Hussain, S.H. Shah

Surface Science > 2014 > 620 > Complete > 30-37

Methanol dehydrogenation to CO and H ₂ has been systematically investigated on Au(100) and Au(310) surfaces using density functional theory (DFT). All possible intermediates involved are calculated. Methanol and formaldehyde being saturated molecules adsorb weakly on both the surfaces. The thermochemistry and kinetics of the decomposition via sequential hydrogen abstraction are both found...

article

Chemistry and kinetics of dehydrogenation of alkene polymers and oligomers with pincer Ir complexes

Amlan Ray, Yury V. Kissin, Keming Zhu, Alan S. Goldman, more

Journal of Molecular Catalysis. A, Chemical > 2006 > 256 > 1-2 > 200-207

The paper presents details of catalytic dehydrogenation reactions of two high molecular weight, highly branched hydrocarbons, a polymer of 1-hexene and an oligomer of 1-butene, and describes kinetic analysis of these reactions. The dehydrogenation reactions were catalyzed with two pincer Ir complexes, [4-methoxy-2,6-C ₆ H ₃ (CH ₂ P-tert-Bu ₂ ) ₂ ]IrH ₂ ...

article

Direct Thioamination of Cyclohexanones via Difunctionalization with Thiophenol and Aniline

Minli Tang, Li Zhang, Guojiang Mao, Fuhong Xiao, more

Advanced Synthesis & Catalysis > 364 > 13 > 2205 - 2210

A synthetic method of o‐sulfanylanilines from cyclohexanones, amines, and thiophenols under transition‐metal‐free conditions is disclosed. This is the first report on the direct thioamination of cyclohexanones via N‐iodosuccinimide (NIS) promoted oxidative dehydroaromatization. Non‐aromatic cyclohexanones were smoothly dehydrogenated, and acted as an aryl source using oxygen as a green oxidant. The...

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Metal‐ and Solvent‐Free Synthesis of Maleimide Fused Carbazoles from (Indol‐3‐Yl)cyclohexanones and Maleimides

Fang Fang, Haolin Zheng, Weipeng Li, Guojiang Mao, more

Advanced Synthesis & Catalysis > 364 > 13 > 2190 - 2196

A metal‐ and solvent‐free strategy for the preparation of maleimide‐fused carbazoles has been developed. This protocol started from 2‐(indol‐3‐yl)cyclohexanones and maleimides, providing various maleimide‐fused carbazoles in 45–90% yields. The present approach was catalyzed by trimethylsulfoxonium iodide and involved a cascade of oxidation, [4+2] annulation, and dehydrogenative aromatization. Moreover,...

article

Frontispiz: Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Ayan Das, Benedict J. Elvers, Mithilesh Kumar Nayak, Nicolas Chrysochos, more

Angewandte Chemie > 134 > 28 > n/a - n/a

Carbene. In ihrem Forschungsartikel (e202202637) berichten Tharangattu N. Narayanan, Carola Schulzke, Cem B. Yildiz, Anukul Jana et al. über die In‐situ‐Erzeugung von zyklischen (Alkyl)(amino)carbenen durch thermische 1,1‐Dehydratisierung von sekundären Pyrrolidin‐2‐olen und deren Nutzung für verschiedene Zwecke, z. B. die Synthese von Übergangsmetall‐Carben‐Komplexen.

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Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Ayan Das, Benedict J. Elvers, Mithilesh Kumar Nayak, Nicolas Chrysochos, more

Angewandte Chemie > 134 > 28 > n/a - n/a

Herein we report secondary pyrrolidin‐2‐ols as a source of cyclic (alkyl)(amino)carbenes (CAAC) for the synthesis of CAAC‐Cu^I‐complexes and cyclic thiones when reacted with Cu^I‐salts and elemental sulfur, respectively, under reductive elimination of water from the carbon(IV)‐center. This result demonstrates a convenient and facile access to CAAC‐based Cu^I‐salts, which are well known catalysts for...

article

Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Ayan Das, Benedict J. Elvers, Mithilesh Kumar Nayak, Nicolas Chrysochos, more

Angewandte Chemie International Edition > 61 > 28 > n/a - n/a

Herein we report secondary pyrrolidin‐2‐ols as a source of cyclic (alkyl)(amino)carbenes (CAAC) for the synthesis of CAAC‐Cu^I‐complexes and cyclic thiones when reacted with Cu^I‐salts and elemental sulfur, respectively, under reductive elimination of water from the carbon(IV)‐center. This result demonstrates a convenient and facile access to CAAC‐based Cu^I‐salts, which are well known catalysts for...

article

Frontispiece: Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Ayan Das, Benedict J. Elvers, Mithilesh Kumar Nayak, Nicolas Chrysochos, more

Angewandte Chemie International Edition > 61 > 28 > n/a - n/a

Carbenes. In their Research Article (e202202637), Tharangattu N. Narayanan, Carola Schulzke, Cem B. Yildiz, Anukul Jana et al. report the in situ generation of cyclic (alkyl)(amino)carbenes through the thermal 1,1‐dehydration of secondary pyrrolidin‐2‐ol alcohols.

article

Selectivity of dehydrogenative silicone–oxygen bond formation in diphenylsilane by base and base‐activated catalysts

Dakota Even, Cory Berkland

International Journal of Chemical Kinetics > 54 > 8 > 478 - 487

Various base catalysts and base‐activated catalysts were evaluated for their steric inhibitions and selectivity in silicon–oxygen bond formation between hydroxyl groups and each of the two active hydrogen sites of diphenylsilane. Three hydroxides, six amines, and an organic‐soluble N‐heterocyclic carbene‐copper alkoxide complex (CuIPr‐NHC) were reviewed using in situ FTIR monitoring of reaction progress...

article

Atomically Precise Single Metal Oxide Cluster Catalyst with Oxygen‐Controlled Activity

Xinzhe Li, Na Guo, Zhongxin Chen, Xin Zhou, more

Advanced Functional Materials > 32 > 25 > n/a - n/a

Single cluster catalysts (SCCs) consisting of atomically precise metal nanoclusters dispersed on supports represent a new frontier of heterogeneous catalysis. However, the ability to synthesize SCCs with high loading and to precisely introduce non‐metal atoms to further tune their catalytic activity and reaction scope of SCCs have been longstanding challenges. Here, a new interface confinement strategy...

article

Electrochemical Synthesis of Sulfonyl Fluorides with Triethylamine Hydrofluoride

Lei Zhang, Xu Cheng, Qi‐Lin Zhou

Chinese Journal of Chemistry > 40 > 14 > 1687 - 1692

Hydrofluoride is an industry‐preferred fluoride source, and finds extensively application to manufacture diverse fluoro chemicals. The Et₃N‐3HF complex is a liquid HF with improve safety. In this work, we report electrochemical synthesis of a series of sulfonyl fluoride with Et₃N‐3HF as fluoride source. The sulfinic salt is a smell‐less, non‐volatile, and air‐stable sulfur source in this reaction...

article

Characterizing Post‐PKS Modifications of 16‐Demethyl‐rifamycin Revealed Two Dehydrogenases Diverting the Aromatization Mode of Naphthalenic Ring in Ansamycin Biosynthesis

Ting‐Yan Han, Kai Zhang, Gong‐Li Tang, Qiang Zhou

Chinese Journal of Chemistry > 40 > 13 > 1553 - 1558

The anti‐tuberculous rifamycins belong to naphthalenic ansamycin based on the structure of aromatic chromophore. Herein, we explored the post‐polyketide synthase (PKS) modifications in the biosynthesis of 16‐demethyl‐rifamycins via gene knockout, complementation and in vitro enzyme assays. The collective evidences showed that i) the aromatization of 8‐hydroxyl‐7,8‐dihydronaphtoquinone was accomplished...

article

Intrinsic size‐dependent activity of Pt nanoparticles without masking by heterogeneous oxidation states of Pt for hydrolytic dehydrogenation of NH₃BH₃

Youngwon Ju, Taehoon Cho, Kichul Lee, Jiwoong Kim, more

International Journal of Energy Research > 46 > 7 > 9771 - 9781

We report size‐dependent activity of Pt nanoparticles for hydrolytic dehydrogenation of ammonia borane (AB, NH₃BH₃) in the size range of 1 to 4 nm without masking by heterogeneous oxidation states of Pt. Specifically, we synthesized five differently sized Pt nanoparticles encapsulated inside generation 6 poly(amidoamine) dendrimers with a uniform oxidation state of Pt in an effort to study the intrinsic...

article

Support effect in Cu‐based catalysts for vapor phase dehydrogenation of 1‐decanol to decanal using CO₂ as a soft oxidant

Prathap Challa, Siva Sankar Enumula, Gidyonu Paleti, Mallesh Dosali, more

International Journal of Energy Research > 46 > 7 > 9166 - 9177

The present work aims to produce decanal from the dehydrogenation (DH) of 1‐decanol with CO₂ as soft oxidant over copper catalysts. The main advantage of Cu catalysts is that they can promote DH and reverse water gas shift reactions, which are part of oxidative DH of 1‐decanol in presence of CO₂. For this purpose, various supported Cu catalysts (Cu/MgO, Cu/CeO₂, Cu/ZnO, and Cu/ZrO₂) have been prepared...

article

Superior Dehydrogenation Performance of α‐AlH₃ Catalyzed by Li₃N: Realizing 8.0 wt.% Capacity at 100 °C

Shaolei Zhao, Long Liang, Baozhong Liu, Limin Wang, more

Small > 18 > 17 > n/a - n/a

The high dehydrogenation temperature of aluminum hydride (AlH₃) has always been an obstacle to its application as a portable hydrogen source. To solve this problem, lithium nitride is introduced into the aluminum hydride system as a catalyst to optimize the dehydrogenation drastically, which reduces the initial dehydrogenation temperature from 140.0 to 66.8 °C, and provides a stable hydrogen capacity...

article

Characterization of Multifunctional and Non‐stereoselective Oxidoreductase RubE7/IstO, Expanding the Functional Diversity of the Flavoenzyme Superfamily

Yijun Yan, Zhiyin Yu, Wei Zhong, Xiaodong Hou, more

Angewandte Chemie > 134 > 19 > n/a - n/a

Flavin‐dependent enzymes enable a broad range of redox transformations and generally act as monofunctional and stereoselective catalysts. Herein, we report the investigation of a multifunctional and non‐stereoselective FMN‐dependent oxidoreductase RubE7 from the rubrolone biosynthetic pathway. Our study outlines a single RubE7‐catalysed sequential reduction of three spatially distinct bonds in a tropolone...

article

Characterization of Multifunctional and Non‐stereoselective Oxidoreductase RubE7/IstO, Expanding the Functional Diversity of the Flavoenzyme Superfamily

Yijun Yan, Zhiyin Yu, Wei Zhong, Xiaodong Hou, more

Angewandte Chemie International Edition > 61 > 19 > n/a - n/a

Flavin‐dependent enzymes enable a broad range of redox transformations and generally act as monofunctional and stereoselective catalysts. Herein, we report the investigation of a multifunctional and non‐stereoselective FMN‐dependent oxidoreductase RubE7 from the rubrolone biosynthetic pathway. Our study outlines a single RubE7‐catalysed sequential reduction of three spatially distinct bonds in a tropolone...

article

Production of Styrene from Dehydrogenation of Ethylbenzene

Rahul Gupta, Hasan Uslu, Subhajit Majumder

Chemical Engineering & Technology > 45 > 5 > 817 - 823

A pseudo‐homogeneous model based on intrinsic rate equations for dehydrogenation of ethylbenzene to styrene in an adiabatic fixed‐bed reactor is developed. Steam and ethylbenzene are the main reactants with styrene as the desired product, and benzene and toluene as by‐products. Styrene production is an endothermic reaction depends on various factors such as temperature, pressure, steam to ethylbenzene...

article

Using Methanol as a Formaldehyde Surrogate for Sustainable Synthesis of N‐Heterocycles via Manganese‐Catalyzed Dehydrogenative Cyclization

Zhihui Shao, Shanshan Yuan, Yibiao Li, Qiang Liu

Chinese Journal of Chemistry > 40 > 10 > 1137 - 1143

The development of an efficient and sustainable synthetic route for formaldehyde production from renewable feedstock, especially in combination with a subsequent transformation to straightforwardly construct valuable chemicals, is highly desirable. Herein, we report a novel manganese‐catalyzed dehydrogenative cyclization of methanol as a formaldehyde surrogate with a variety of dinucleophiles for...

article

Iron‐Catalyzed Dehydrogenation of Alcohols Using Benzoquinones as Electrochemically Regenerable Mediators

Mikhaila D. Ritz, William D. Jones

European Journal of Organic Chemistry > 2022 > 14 > n/a - n/a

The efficient and atom economical iron‐catalyzed dehydrogenation of alcohols using benzoquinones as electrochemically regenerable mediators has been developed. In this work, an iron cyclopentadienone complex was electrochemically studied and tested for its effectiveness within this system. This methodology was then extended to various secondary and primary alcohols affording moderate to good yields...

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Search results

MMENT>Computational study of complete methanol dehydrogenation on Au(100) and Au(310) surfaces: Dominant role of atomic oxygen

Chemistry and kinetics of dehydrogenation of alkene polymers and oligomers with pincer Ir complexes

Direct Thioamination of Cyclohexanones via Difunctionalization with Thiophenol and Aniline

Metal‐ and Solvent‐Free Synthesis of Maleimide Fused Carbazoles from (Indol‐3‐Yl)cyclohexanones and Maleimides

Frontispiz: Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Frontispiece: Realizing 1,1‐Dehydration of Secondary Alcohols to Carbenes: Pyrrolidin‐2‐ols as a Source of Cyclic (Alkyl)(Amino)Carbenes

Selectivity of dehydrogenative silicone–oxygen bond formation in diphenylsilane by base and base‐activated catalysts

Atomically Precise Single Metal Oxide Cluster Catalyst with Oxygen‐Controlled Activity

Electrochemical Synthesis of Sulfonyl Fluorides with Triethylamine Hydrofluoride

Characterizing Post‐PKS Modifications of 16‐Demethyl‐rifamycin Revealed Two Dehydrogenases Diverting the Aromatization Mode of Naphthalenic Ring in Ansamycin Biosynthesis

Intrinsic size‐dependent activity of Pt nanoparticles without masking by heterogeneous oxidation states of Pt for hydrolytic dehydrogenation of NH₃BH₃

Support effect in Cu‐based catalysts for vapor phase dehydrogenation of 1‐decanol to decanal using CO₂ as a soft oxidant

Superior Dehydrogenation Performance of α‐AlH₃ Catalyzed by Li₃N: Realizing 8.0 wt.% Capacity at 100 °C

Characterization of Multifunctional and Non‐stereoselective Oxidoreductase RubE7/IstO, Expanding the Functional Diversity of the Flavoenzyme Superfamily

Characterization of Multifunctional and Non‐stereoselective Oxidoreductase RubE7/IstO, Expanding the Functional Diversity of the Flavoenzyme Superfamily

Production of Styrene from Dehydrogenation of Ethylbenzene

Using Methanol as a Formaldehyde Surrogate for Sustainable Synthesis of N‐Heterocycles via Manganese‐Catalyzed Dehydrogenative Cyclization

Iron‐Catalyzed Dehydrogenation of Alcohols Using Benzoquinones as Electrochemically Regenerable Mediators

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