The importance of Pi-interactions in crystal engineering : frontiers in crystal engineering / / edited by Edward R.T. Tiekink, Julio Zukerman-Schpector

• Record Nr.: UNINA9910826322103321
• Pubbl/distr/stampa: Hoboken, NJ, : Wiley, 2012
• ISBN: 9786613621351; 9781119940920; 1119940923; 9781280591525; 1280591528; 9781119945888; 1119945887; 9781119945895; 1119945895
• Edizione: [2nd ed.]
• Descrizione fisica: 1 online resource (402 p.)
• Altri autori (Persone): TiekinkEdward R. T; Zukerman-SchpectorJulio
• Disciplina: 548/.3
• Soggetti: Molecular crystals; Supramolecular organometallic chemistry; Crystal growth
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: The Importance of Pi-Interactions in Crystal Engineering; Contents; Preface; List of Contributors; 1 The CH/p Hydrogen Bond: Implication in Crystal Engineering; 1.1 Introduction; 1.1.1 Evidence and the Nature of the CH/p Hydrogen Bond; 1.1.2 Directionality of the CH/p Hydrogen Bond; 1.2 Cooperative Effect of the CH/p Hydrogen Bond; 1.2.1 Cooperative Effect as Evidenced by High-Level Ab Initio MO Calculations; 1.2.2 Cooperative Effect as Evidenced by Periodic Ab Initio MO Calculations; 1.2.3 Cooperative Effect as Evidenced by Stabilisation of Materials in Aromatic Nanochannels; 1.2.4 Optical Resolution 1.3 CH/p Hydrogen Bonds in Supramolecular ; Chemistry; 1.3.1 Crystal Packing; 1.3.2 Lattice Inclusion Type Clathrates; 1.3.3 Cavity Inclusion Type Clathrates; 1.4 Crystallographic Database Analyses; 1.4.1 CH/p Hydrogen Bonds as Evidenced by CSD Analyses; 1.4.2 Systematic CSD Analyses; 1.5 Systematic CSD Analyses of the CH/p Hydrogen Bond; 1.5.1 Method and General Survey of Organic Molecules; 1.5.2 Organometallic Compounds; 1.6 Summary and Outlook; Acknowledgments; References; 2 New Aspects of Aromatic p. . . p and C-H . . . p Interactions in Crystal Engineering; 2.1 Introduction 2.1.1 Planar Aromatic Molecules; 2.1.2 Edge-Face (EF) and Offset Face-Face (OFF) Interactions; 2.1.3 Competition between EF and OFF Interactions; 2.1.4 Edge-Edge (EE) Interactions; 2.2 Three-Dimensional Aromatic Structures; 2.2.1 Aryl . . . Aryl Embrace Interactions; 2.2.2 Design of Heteroaromatic Inclusion Hosts; 2.3 Endo,Endo-Facial Dimers; 2.3.1 The Basic P4AE Interaction Motif; 2.3.2 Discrete Endo,Endo-Facial Dimers; 2.3.3 Aggregated Endo,Endo-Facial Dimers; 2.4 Multiply Halogenated Heteroaromatic Molecules; 2.4.1 The p-Halogen Dimer (PHD) Interaction; 2.4.2 The PHD Unit in Staircase Inclusion Structures 2.4.3 The PHD Unit in Layer Structures; 2.4.4 Switch from Endo,Endo-Facial Dimer to PHD Unit; 2.5 Expansion of the Endo,Endo-Facial Dimer; 2.5.1 Penannular Guest Enclosure; 2.5.2 Types of Molecular Pens; 2.6 (EF)6 Brick-Like Building Blocks; 2.6.1 Phenylated Heteroaromatic Molecules; 2.6.2 Packing of the Bricks; 2.6.3 Different Inclusion Families and Their Convergence; 2.7 Other Novel Multiple Edge-Face Assemblies; 2.7.1 The (EF)2 Handclasp Interaction; 2.7.2 Formation of Hexameric Inclusion Capsules; 2.7.3 Formation of Hexameric Hydrate Clusters 2.8 Other Types of Aryl-Aryl Contacts; 2.8.1 Different OFF Packing Geometries; 2.8.2 Exo,Endo-Facial OFF Interactions; 2.8.3 Exo,Exo-Facial OFF Interactions; 2.8.4 Swivel Interactions; 2.9 Conclusions; Acknowledgments; References; 3 CH-p and p-p Interactions as Contributors to the Guest Binding in Reversible Inclusion and Encapsulation Complexes; 3.1 Introduction; 3.1.1 Theoretical Considerations of Aromatic-Aromatic (p-p) Interactions and CH-p Interactions; 3.2 Probing Aromatic-Aromatic (p-p) Interactions and CH-p Interactions with Solid-State Structures of Reversible Inclusion and Encapsulation Complexes
• Sommario/riassunto: Crystal engineers aim to control the way molecules aggregate in the crystalline phase and are therefore concerned with crystal structure prediction, polymorphism, and discovering the relative importance of different types of intermolecular forces and their influence on molecular structure. In order to design crystal structures, knowledge of the types, strengths, and nature of possible intermolecular interactions is essential. Non-covalent interactions involving p-systems is a theme that is under extensive investigation as these interactions can be inductors for the assembly of a vast array of

Innovative Computing and Communications : Proceedings of ICICC 2024, Volume 5 / / edited by Aboul Ella Hassanien, Sameer Anand, Ajay Jaiswal, Prabhat Kumar

• Record Nr.: UNINA9910890193103321
• Autore: Hassanien Aboul Ella
• Pubbl/distr/stampa: Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024
• ISBN: 981-9741-49-1
• Edizione: [1st ed. 2024.]
• Descrizione fisica: 1 online resource (698 pages)
• Collana: Lecture Notes in Networks and Systems, , 2367-3389 ; ; 1038
• Altri autori (Persone): AnandSameer; JaiswalAjay; KumarPrabhat
• Disciplina: 004
• Soggetti: Telecommunication; Cooperating objects (Computer systems); Internet of things; Artificial intelligence; Communications Engineering, Networks; Cyber-Physical Systems; Internet of Things; Artificial Intelligence
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Sommario/riassunto: This book includes high-quality research papers presented at the Seventh International Conference on Innovative Computing and Communication (ICICC 2024), which is held at the Shaheed Sukhdev College of Business Studies, University of Delhi, Delhi, India, on 16–17 February 2024. Introducing the innovative works of scientists, professors, research scholars, students, and industrial experts in the field of computing and communication, the book promotes the transformation of fundamental research into institutional and industrialized research and the conversion of applied exploration into real-time applications.