Download or read book Hydrogen bonded Capsules Molecular Behavior In Small Spaces written by Julius Rebek, Jr and published by World Scientific. This book was released on 2015-09-23 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph describes the behavior of molecules confined to small spaces. The small spaces are created by the self-assembly of modules into hollow capsular structures through hydrogen bonding; capsules assembled by metal/ligand binding or other forces are not included. Topics discussed include how assembly of capsules occurs, how molecules get in and out of the capsules, new spatial arrangements (stereochemistry) created in the capsules, and the altered shapes, interactions and reactivities of molecules held inside the small spaces. The descriptions emphasize molecular recognition phenomena and the perspective is that of physical organic chemistry.The book is the first monograph to treat reversible molecular encapsulation. More than 20 university and institute groups worldwide engage in this research, which represents the leading edge of activity in molecular recognition and the physical organic chemistry of confined molecules.
Download or read book Hydrogen Bonded Supramolecular Structures written by Zhan-Ting Li and published by Springer. This book was released on 2015-01-12 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers. This book is designed to bring together in a single volume the many important aspects of hydrogen bonding supramolecular chemistry and will be a valuable resource for graduates and researchers working in supramolecular and related sciences. Zhan-Ting Li, PhD, is a Professor of Organic Chemistry at the Department of Chemistry, Fudan University, China. Li-Zhu Wu, PhD, is a Professor of Organic Chemistry at the Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China.
Download or read book Reactivity in Confined Spaces written by Gareth O. Lloyd and published by Royal Society of Chemistry. This book was released on 2021-08-25 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title combines classical host: guest chemistry with catalysis, reactivity and modern supramolecular chemistry
Download or read book Hydrogen bonding Research In Photochemistry Photobiology And Optoelectronic Materials written by Han Keli and published by World Scientific. This book was released on 2019-03-13 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, the hydrogen-bonding effect turns to an excited-state one influencing photochemistry, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially for optoelectronic or luminescent materials.The approaches presented in this book include quantum chemical calculation, molecular dynamics simulation and ultrafast spectroscopy, which are strong tools to investigate the hydrogen bond. Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds. By using these methods, more details and faster processes involved in excited-state dynamics of hydrogen bond are explored.This highly interdisciplinary book provides an overview of leading hydrogen bond research. It is essential reading for faculties and students in researching photochemistry, photobiology and photophysics, as well as novel optoelectronic materials, fluorescence probes and photocatalysts. It will also guide research beginners to getting a quick start within this field.
Download or read book Cucurbiturils written by Kim Kimoon and published by World Scientific. This book was released on 2018-06-05 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book chronicles the history and development of cucurbiturils. It provides a general introduction and a field-wide overview of the synthesis, properties and applications of cucurbiturils. Beginning with a chronicled history in the development of the once little-known peculiarity to the forefront of supramolecular chemistry, followed by an in depth look at the preparation, properties and host-guest chemistry, the title showcases the uses of cucurbiturils in chemistry, materials science and biology. An essential resource for both new and experienced researchers, as it provides an overview of the diverse applications, new methodologies and research, as well as challenges in the field.
Download or read book Functional Supramolecular Materials written by Rahul Banerjee and published by Royal Society of Chemistry. This book was released on 2017-05-05 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular materials have a great number of applications due to the reversibility of their non-covalent molecular interactions, such as reversible hydrogen bonding, host–guest interactions and electrostatic interactions. This book provides a comprehensive source of information on the structure and function of organic and metal–organic supramolecular materials. The chapters of this book provide an overview of supramolecular material assembly at various scales, including the formation of 2D polymers and molecular cages. The role of intermolecular interactions in solid and solution state self-assembly is discussed, as is the role of mechanochemistry on molecular and supramolecular architectures. Finally, novel applications of these materials in molecular recognition, catalysis, light harvesting and environmental remediation are covered. Functional Supramolecular Materials will be of interest to graduate students and researchers in academia and industry in the fields of supramolecular chemistry and functional materials science.
Download or read book Bilirubin Jekyll and Hyde Pigment of Life written by David A. Lightner and published by Springer Science & Business Media. This book was released on 2013-12-12 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers the totality of bilirubin (and heme from which bilirubin is derived biogenetically) the structural relationship of bilirubin to its solution properties and metabolism and to phototherapy for the jaundiced newborn - a common medical procedure used nowadays for lowering serum bilirubin, which is neurotoxic.
Download or read book Synergy in Supramolecular Chemistry written by Tatsuya Nabeshima and published by CRC Press. This book was released on 2014-12-18 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cooperative and synergistic chemical events have attracted significant attention from many researchers engaged in organic chemistry, inorganic chemistry, biological chemistry, polymer chemistry, medicinal chemistry, and other related materials sciences. Synergistic supramolecular systems could be developed to amplify the functions and integration o
Download or read book The Encapsulation Phenomenon written by Yan Voloshin and published by Springer. This book was released on 2016-04-27 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: This fundamental book presents the most comprehensive summary of the current state of the art in the chemistry of cage compounds. It introduces different ways of how ions and molecules can be encapsulated by three-dimensional caging ligands to form molecular and polymeric species: covalent, supramolecular, and coordination capsules. The authors introduce their classification, reactivity, and selected practical applications. Because encapsulation can isolate caged ions and molecules from external factors, the encapsulated species can exhibit unique physical and chemical properties. The resulting specific reactivity and selectivity can open up a range of applications, including chemical separation, recognition, chiral separation, catalysis, applications as sensors or probes, as molecular or supramolecular devices, or molecular carriers (cargo).A particularly strong emphasis in this book is on the summary and review of the synthesis of various types of cage compounds. Readers will find over 850 literature references summarized and clearly represented in over 600 schemes and illustrations. The book is structured by the types of caging ligands (covalent, supramolecular, or coordination capsules). The authors further arranged the chapters by ligand classes and types of encapsulated species (neutral molecules, anions, or cations). Readers will hence find an exhaustive reference resource and summary of the current state of research into encapsulated species, nowadays almost a separated realm of modern chemistry.
Download or read book Chemistry of Nanocontainers written by Dariush Ajami and published by Springer Science & Business Media. This book was released on 2012-02-07 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Cages and Capsules with Functionalized Inner Surfaces, by Stefan Kubik. Drug Delivery by Water-Soluble Organ metallic Cages, by Bruno Therrien. Reversibly Expanded Encapsulation Complexes, by Dariush Ajami und Julius Rebek. Container Molecules Based on Imine Type Ligands, by A. Carina Schulze und Iris M. Oppel. Molecular Capsules Derived from Resorcin[4]arenes by Metal-Coordination, by Tobias Schröder, Satya Narayan Sahu und Jochen Mattay. Coronates, Spherical Containers, Bowl-Shaped Surfaces, Porous 1D-, 2D-, 3D-Metallo-Coordination Polymers, and Metallodendrimers, by Rolf W. Saalfrank und Andreas Scheurer.
Download or read book Comprehensive Supramolecular Chemistry II written by George W. Gokel and published by Elsevier. This book was released on 2017-06-22 with total page 4627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996
Download or read book Visualization of Hydrogen Bond Dynamics written by Takashi Kumagai and published by Springer. This book was released on 2012-09-02 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt: The hydrogen bond represents an important interaction between molecules, and the dynamics of hydrogen bonds in water create an ever-present question associated with the process of chemical and biological reactions. In spite of numerous studies, the process remains poorly understood at the microscopic level because hydrogen-bond dynamics, such as bond rearrangements and hydrogen/proton transfer reactions, are extremely difficult to probe. Those studies have been carried out by means of spectroscopic methods where the signal stems from the ensemble of a system and the hydrogen-bond dynamics were inferred indirectly. This book addresses the direct imaging of hydrogen-bond dynamics within water-based model systems assembled on a metal surface, using a scanning tunneling microscope (STM). The dynamics of individual hydrogen bonds in water clusters, hydroxyl clusters, and water-hydroxyl complexes are investigated in conjunction with density functional theory. In these model systems, quantum dynamics of hydrogen bonds, such as tunneling and zero-point nuclear motion, are observed in real space. Most notably, hydrogen atom relay reactions, which are frequently invoked across many fields of chemistry, are visualized and controlled by STM. This work presents a means of studying hydrogen-bond dynamics at the single-molecule level, providing an important contribution to wide fields beyond surface chemistry.
Download or read book Modern Supramolecular Chemistry written by François Diederich and published by John Wiley & Sons. This book was released on 2008-06-25 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by internationally acclaimed experts, this handy volume covers all major classes of supramolecular compounds. Chapters include cyclophanes, resorcinarene and calixarene synthesis, supramolecular metallomacrocycles and macrocycle synthesis, rotaxane and catenane synthesis, cucurbiturils and porphyrins, as well as macrocyclic drugs. Each chapter contains experimental procedures allowing fast access to this type of synthetic chemistry.
Download or read book Journal written by American Chemical Society and published by . This book was released on 2004 with total page 1256 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Discovering the Future of Molecular Sciences written by Bruno Pignataro and published by John Wiley & Sons. This book was released on 2014-05-05 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: The European Young Chemist Award has now been awarded four times (2006, 2008, 2010 and 2012). The authors of the previous books based on the competition have become some of the leading scientists in Europe. These books truly provide a glimpse into the future research landscape of European chemistry. Fifteen top contributions have been selected for this single volume covering areas of chemistry and materials science. The broad range of themes is presented in an approachable and readable manner equally appropriate for non-specialists on the topic. The overview of intriguing topics includes chemical synthesis and advanced methodologies as well as materials, nanoscience and nanotechnologies.
Download or read book Development and Analysis of Computational Methods to Study Hydrogen Bonding in Molecular Clusters written by Ryan J. DiRisio and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the role of hydrogen bonding in the structure and dynamics of water is an ongoing challenge in physical chemistry. In particular, understanding how the quantum mechanical effects of molecular vibrations govern the structure and dynamics of water is of interest. The cornerstone method used to study this phenomenon in this work is Diffusion Monte Carlo (DMC), which can be used to obtain the ground state vibrational wave function of any arbitrary molecule or molecular cluster. Instead of attempting to model bulk water and its properties outright, small, gas-phase molecular and ionic clusters of water, which provide model systems to study hydrogen bonding and proton transfer, are studied. To begin, DMC will be reviewed, and PyVibDMC, an open source, general purpose Python DMC software package developed as part of this work, will be discussed. As DMC is rigorously a ground state method, extensions to the DMC approach are required to obtain information about excited states. With excited state information, one can then directly compare simulation to experiment through theoretical and experimental spectroscopy. As such, next, the Ground State Probability Amplitude (GSPA) approximation is presented, and it is applied to protonated water clusters. In the GSPA approach, excited state wave functions are approximated based on simple products of polynomials of vibrational displacements with the ground state DMC wave function. The power of this approach is that one can construct a small basis through which to comprehensively examine the vibrational state space of the chemical system of interest. Extensions to the GSPA approach that incorporate excited state mixing and improved descriptions of higher-order excited states states will be presented as well. These improvements lead to good agreement between the GSPA theoretical and gas-phase experimental vibrational spectra of H7O3+ and H9O4+. Using this rich theoretical approach, we are able to draw connections between the molecular vibrations and structures that govern proton transfer and experimental spectroscopy of the clusters. A methodological procedure is presented next, which is the incorporation of machine learning into the DMC workflow. A potential energy surface is required for DMC simulations. Performing on-the-fly, ab initio potential energy calculations of molecular configurations in DMC simulations for systems beyond a few atoms is computationally intractable. As such, fitted potential energy surfaces are often employed for DMC simulations. However, as systems of interest increase in size, even the evaluations of these fitted surfaces become computationally demanding. To this end, a workflow is developed to use the large amount of data obtained from a small-scale DMC simulation to train a neural network to learn the potential energy surface of interest. Neural network structure, choice of descriptor, and hyperparameter optimization are reviewed and discussed in the context of other machine learning methods, and training data collection strategies are discussed, including the need to sample regions of the potential energy surface that are beyond regions accessed by a typical DMC simulation. Once the neural network surface is trained, it is evaluated in an extremely fast and highly-parallel manner, making DMC simulations significantly more efficient for H2O, CH5+, and (H2O)2. In the final section, DMC is set aside, and an exploration of the correlation between the vibrational spectral signature of an individual water molecule with its surrounding chemical environment is discussed. Specifically, the frequency of a hydrogen-bonded OH stretch in a water dimer pair is correlated to the number of solvating water molecules surrounding it. A quantum mechanical model is constructed to quantify this correlation, and applications of the model to a sample water cluster show the causality between the change in quantum mechanical electron density in the hydrogen bonding region of a particular OH bond and its OH stretch frequency. The application of the quantum model formalizes and explains empirical trends and categorization approaches put forth in previous work to characterize hydrogen bonding environments. This model is then applied to the water network found in a Cs+(H2O)20 cluster, where these trends are again quantified and then related to both the first and second solvation shell of a hydrogen-bond donor/acceptor water pair within the larger network.
Download or read book Designed Molecular Space in Material Science and Catalysis written by Seiji Shirakawa and published by Springer. This book was released on 2018-09-26 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on molecular space chemistry, which is recognized as an important concept for the design of novel functional materials and catalysts. A wide variety of topics and ideas included in this book are based on that concept. The book showcases recent representative examples of molecular space design to create functional materials and catalysts possessing unique properties. This unique volume will be of great interest to chemists in a wide variety of research fields, including organic, inorganic, biological, polymer, and supramolecular chemistry. Readers will obtain new ideas and directions to create novel functional molecules, and those ideas will lead to innovative views of science.