Catalysis Series最新文献_第2页

CHAPTER 3. Catalysis by Networks of Cooperative Hydrogen Bonds 第三章。协同氢键网络的催化作用

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00066

J. M. Saa, Victor J. Lillo, J. Mansilla

{"title":"CHAPTER 3. Catalysis by Networks of Cooperative Hydrogen Bonds","authors":"J. M. Saa, Victor J. Lillo, J. Mansilla","doi":"10.1039/9781788016490-00066","DOIUrl":"https://doi.org/10.1039/9781788016490-00066","url":null,"abstract":"The main paradigm of today's chemistry is sustainability. In pursuing sustainability, we need to learn from chemical processes carried out by Nature and realize that Nature does not use either strong acids, or strong bases or fancy reagents to achieve outstanding chemical processes. Instead, enzyme activity leans on the cooperation of several chemical entities to avoid strong acids or bases or to achieve such an apparently simple goal as transferring a proton from an NuH unit to an E unit (NuH + E → Nu–EH). Hydrogen bond catalysis emerged strongly two decades ago in trying to imitate Nature and avoid metal catalysis. Now to mount another step in pursuing the goal of sustainability, the focus is upon cooperativity between the different players involved in catalysis. This chapter looks at the concept of cooperativity and, more specifically, (a) examines the role of cooperative hydrogen bonded arrays of the general type NuH⋯(NuH)n⋯NuH (i.e. intermolecular cooperativity) to facilitate general acid–base catalysis, not only in the solution phase but also under solvent-free and catalyst-free conditions, and, most important, (b) analyzes the capacity of designer chiral organocatalysts displaying intramolecular networks of cooperative hydrogen bonds (NCHBs) to facilitate enantioselective synthesis by bringing conformational rigidity to the catalyst in addition to simultaneously increasing the acidity of key hydrogen atoms so to achieve better complementarity in the highly polarized transition states.","PeriodicalId":10054,"journal":{"name":"Catalysis Series","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88364888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

CHAPTER 6. Onium Ion-assisted Organic Reactions Through Cation–π Interactions 第六章。通过阳离子-π相互作用的铵离子辅助有机反应

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00137

S. Yamada

引用次数: 1

CHAPTER 29. Analysis of Reactivity from the Noncovalent Interactions Perspective 章29。从非共价相互作用的角度分析反应性

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00628

R. Á. Boto, T. Woller, J. Contreras‐García, Israel Fernández

引用次数: 0

CHAPTER 20. Cavity Effects in Metal–Organic Frameworks 第20章。金属-有机骨架中的空腔效应

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00440

Víctor L. Rechac, Encarnación Peris Sanchis, F. X. L. I. Xamena

引用次数: 1

CHAPTER 17. Ionic Liquid Effect in Catalysed Multicomponent Reactions 第十七章。催化多组分反应中的离子液体效应

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00377

B. A. Neto, Haline G. O. Alvim, A. Lapis

{"title":"CHAPTER 17. Ionic Liquid Effect in Catalysed Multicomponent Reactions","authors":"B. A. Neto, Haline G. O. Alvim, A. Lapis","doi":"10.1039/9781788016490-00377","DOIUrl":"https://doi.org/10.1039/9781788016490-00377","url":null,"abstract":"In this book chapter the effects produced in using ionic liquids over multicomponent reactions are presented and discussed. Ionic liquids may be used as reaction media (solvents) or as catalysts for several multicomponent reactions. It is observed that many multicomponent reactions characteristically proceed through charged intermediates, thereby rendering them as desirable features to interact with cations and/or anions of ionic liquids. These interactions are mostly ruled by Coulombic attraction/stabilisation between the charged intermediates and the ionic liquid ions. These Coulombic interactions give rise to new ion pairs and larger supramolecular aggregates (higher ion clusters). Additional interactions such as hydrogen bonds and van der Waals forces also play a role in the formation, directionality (entropic drivers) and stabilisation of these ion pairs (and larger supramolecular clusters) between the charged intermediates and the ionic liquid ions; an effect typically noted for imidazolium derivatives. Understanding the multicomponent reaction mechanism in this context is essential in aiming at predicting a positive ionic liquid effect. Many multicomponent reactions have proven to be capable of undergoing two or more competitive reaction mechanisms, but usually the final multicomponent reaction adduct is the same regardless of the reaction pathway. Ionic liquids may also contribute to tune the reaction through one specific mechanism. As we intend to show herein, the combination of multicomponent reactions and ionic liquids typically returns excellent results and produces many achievements, although both are a huge challenge to understand and to predict their effects over multicomponent reactions.","PeriodicalId":10054,"journal":{"name":"Catalysis Series","volume":"31 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82627562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

CHAPTER 13. Baeyer–Villiger Oxidation Promoted by Noncovalent Interactions 第13章。非共价相互作用促进Baeyer-Villiger氧化

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00283

Nuno M. R. Martins, L. Martins

引用次数: 0

CHAPTER 28. Noncovalent Interactions in Biocatalysis – A Theoretical Perspective 28章。生物催化中的非共价相互作用——一个理论视角

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00608

G. Velmurugan, R. V. Solomon, Dhurairajan Senthilnathan, P. Venuvanalingam

{"title":"CHAPTER 28. Noncovalent Interactions in Biocatalysis – A Theoretical Perspective","authors":"G. Velmurugan, R. V. Solomon, Dhurairajan Senthilnathan, P. Venuvanalingam","doi":"10.1039/9781788016490-00608","DOIUrl":"https://doi.org/10.1039/9781788016490-00608","url":null,"abstract":"Noncovalent interactions (NCIs) are Nature's choice for maintaining biological structure and carrying out many biological functions. These delicate forces become stronger and more specific when acting together. They were detected very early as short contacts in crystals or in gas-phase complexes but their systematic understanding is recent. Theoretical methods have greatly aided in understanding their nature and variety and this eventually led to their use in developing chemical, material, biological and technological applications. Recent developments in computer hardware and software have enabled scientists to probe the movements at the atomic level in the active site of complex biological systems and understand the biological processes. This chapter is devoted to explaining the role of NCIs in biocatalysis from a computational perspective. It first introduces the popular theoretical methods used to characterize NCIs and then explains the role of the three main NCIs, namely hydrogen bonding, halogen bonding and hydrophobic interactions, in biocatalysis through six case studies from the literature. The chapter ends with a summary and future directions of this topic.","PeriodicalId":10054,"journal":{"name":"Catalysis Series","volume":"99 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82240107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

CHAPTER 23. The Nature of Hydrogen Bonding in Adsorbed CO2 and H2O on Solid Amines in CO2 Capture 23章。CO2捕集中固体胺吸附CO2和H2O的氢键性质

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00503

Y. Zhai, S. Wang, S. Chuang

{"title":"CHAPTER 23. The Nature of Hydrogen Bonding in Adsorbed CO2 and H2O on Solid Amines in CO2 Capture","authors":"Y. Zhai, S. Wang, S. Chuang","doi":"10.1039/9781788016490-00503","DOIUrl":"https://doi.org/10.1039/9781788016490-00503","url":null,"abstract":"CO2 capture from fossil fuel (coal and natural gas) power plants has been considered a key strategy in mitigating global climate changes. One promising approach under development is the use of solid amine sorbents to bind CO2 in the form of ammonium carbamate from the flue gas of coal-fired power plants in a CO2 capture process. The CO2 capture process by solid amines consists of a number of steps: CO2 adsorption, diffusion and desorption. These steps are governed by the nature of the hydrogen bonding between the ammonium cation and the carbamate anion. This chapter discusses the sources of greenhouse gas emissions, basic principles governing the trapping of infrared energy by greenhouse gases, especially CO2, and the mechanistic step involved in the thermal swing CO2 capture process by solid amines. Infrared spectroscopy is used to illustrate the nature of hydrogen bonding in adsorbed CO2 (i.e. ammonium carbamate) and co-adsorbed CO2/H2O (i.e. hydronium carbamate). In situ infrared spectroscopy shows that hydrogen bonding interactions among these adsorbed species shift the stretching band of N–H and O–H to lower wavenumbers. The extent of hydrogen bonding is reflected in the degree of shift and broadness of the N–H and O–H stretching bands. Fine tuning solid amine (immobilized amine) sorbents for CO2 capture processes requires controlling the structure of amine sites to facilitate CO2 adsorption, diffusion and desorption.","PeriodicalId":10054,"journal":{"name":"Catalysis Series","volume":"20 5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89516848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

CHAPTER 26. Role of Ion Pairing in the Mechanisms of Au(i)-catalysed Reactions: Theory and Experiment 26章。离子对在Au(i)催化反应机制中的作用:理论与实验

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00564

D. Zuccaccia, P. Belanzoni, L. Belpassi, G. Ciancaleoni, A. D. Zotto

引用次数: 1

CHAPTER 25. Mechanochemical Activation and Catalysis 第25章。机械化学活化与催化

Catalysis Series Pub Date : 2019-03-04 DOI: 10.1039/9781788016490-00548

M. N. Kopylovich, A. Ribeiro, E. C. Alegria

引用次数: 2