Edward R. T. Tiekink, Julio Zukerman-Schpector

The Importance of Pi-Interactions in Crystal Engineering

Frontiers in Crystal Engineering

• Gebundenes Buch

Produktbeschreibung

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 supramolecular architectures.
The Importance of Pi-Interactions in Crystal Engineeringcovers topics ranging from the identification of interactions involving p-systems, their impact on molecular and crystal structure in both organic and metallorganic systems, and how these interactions might be exploited in the design of new materials. Specialist reviews are written by internationally recognized researchers drawn from both academia and industry.
The Importance of Pi-Interactions in Crystal Engineeringprovides an essential overview of this important aspect of crystal engineering for both entrants to the field as well as established practitioners, and for those working in crystallography, medicinal and pharmaceutical sciences, solid-state chemistry, physical chemistry, materials and nanotechnology Written by internationally recognized researchers, this book guides crystal engineers in the types, strengths, and nature of possible intermolecular interactions. The book covers topics ranging from the identification of interactions involving p-systems, their impact on molecular and crystal structure in both organic and metallorganic systems, and how these interactions might be exploited in the design of new materials. Ideal for those working in the crystallography, medicinal, and pharmaceutical sciences, this book also provides an essential overview of non-covalent interactions involving p-systems.

Produktdetails

• Verlag: Wiley & Sons
• 2. Aufl.
• Seitenzahl: 392
• Erscheinungstermin: 1. September 2012
• Englisch
• Abmessung: 249mm x 170mm x 23mm
• Gewicht: 906g
• ISBN-13: 9780470688274
• ISBN-10: 0470688270
• Artikelnr.: 35046970

Autorenporträt

Edward R. T. Tiekink is the author of The Importance of Pi-Interactions in Crystal Engineering: Frontiers in Crystal Engineering, 2nd Edition, published by Wiley. Julio Zukerman-Schpector is the author of The Importance of Pi-Interactions in Crystal Engineering: Frontiers in Crystal Engineering, 2nd Edition, published by Wiley.

Inhaltsangabe

Preface xiii List of Contributors xv 1 The CH/À Hydrogen Bond: Implication
in Crystal Engineering 1 Motohiro Nishio, Yoji Umezawa, Hiroko Suezawa and
Sei Tsuboyama 1.1 Introduction 1 1.2 Cooperative Effect of the CH/À
Hydrogen Bond 7 1.3 CH/À Hydrogen Bonds in Supramolecular Chemistry 14 1.4
Crystallographic Database Analyses 25 1.5 Systematic CSD Analyses of the
CH/À Hydrogen Bond 28 1.6 Summary and Outlook 31 2 New Aspects of Aromatic
À. . . À and C-H . . . À Interactions in Crystal Engineering 41 Roger
Bishop 2.1 Introduction 41 2.2 Three-Dimensional Aromatic Structures 44 2.3
Endo,Endo-Facial Dimers 46 2.4 Multiply Halogenated Heteroaromatic
Molecules 49 2.5 Expansion of the Endo,Endo-Facial Dimer 56 2.6 (EF)6
Brick-Like Building Blocks 59 2.7 Other Novel Multiple Edge-Face Assemblies
64 2.8 Other Types of Aryl-Aryl Contacts 68 2.9 Conclusions 75 3 CH. . .À
and À. . .À Interactions as Contributors to the Guest Binding in Reversible
Inclusion and Encapsulation Complexes 79 Dr. Pablo Ballester and Dr.
Shannon M. Biros 3.1 Introduction 79 3.2 Probing Aromatic-Aromatic (À-À)
Interactions and CH-À Interactions with Solid-State Structures of
Reversible Inclusion and Encapsulation Complexes 83 3.2.1 Inclusion
Complexes 83 3.3 Summary and Outlook 104 4 A Rudimentary Method for
Classification of À···À Packing Motifs for Aromatic Molecules 109 Leigh
Loots and Leonard J. Barbour 4.1 Introduction 109 4.2 Theoretical Models
110 4.3 À···À Interactions 111 4.4 Structure Prediction and Comparisons 113
4.5 À···À Interactions in Heteroaromatic Molecules 113 4.6 À···À
Interactions in Cocrystals 119 4.7 Summary 123 5 Conformational Flexibility
and Selectivity in Host-Guest Systems 125 Nikoletta B. Bathori and Luigi R.
Nassimbeni 5.1 Introduction 125 5.2 Selectivity 129 5.3 Concluding Remarks
139 6 Organic À-Radicals in the Solid-State: from Localised to Delocalised
Ã-Bonding 143 Marc Fourmigue 6.1 Introduction 143 6.2 Molecules for
À-Radical Formation 144 6.3 Dimers of Radicals versus Radical Dimers
(Pimers) 149 6.4 Solid-State Magnetic and Conducting Properties 154 6.5
Conclusions 159 7 Arene-Perfluoroarene Interactions in Coordination
Architectures 163 Akiko Hori 7.1 Introduction 163 7.2 Background 165 7.3
Guest Recognition by Coordination Networks 169 7.4 Fluorinated Coordination
Complexes 172 7.5 Cocrystals of Coordination Complexes 179 7.6
Self-Assembly in Solution 181 7.7 Conclusions 182 8 Halogen. . .À
Interactions as Important Contributors to Binding Affinity in Medicinal
Chemistry 187 Hans Matter, Marc Nazare, and Stefan Gussregen 8.1
Introduction 187 8.2 General Aspects of Halogen Atoms in Medicinal
Chemistry 189 8.3 Fluorine: a Unique Halogen Atom 190 8.4 Interactions of
Higher Halogen Atoms 196 8.5 Interactions of Higher Halogen Atoms to
Aromatic Rings 204 8.6 Conclusions 226 9 Fuzzy Electron-Density Fragments
as Building Blocks in Crystal-Engineering Design 233 Paul G. Mezey 9.1
Introduction 233 9.2 A Brief Review of a Fuzzy Electron-Density
Fragmentation Scheme Suitable for Molecular Design 235 9.3 The Low-Density
"Glue" Range of Globular Macromolecules, Functional Groups, and the Role of
À-Interactions in Fuzzy Fragment Selection 238 9.4 Summary 239 10
Noncovalent Interactions of À-systems in Crystal Structures of
Transition-Metal Complexes 243 Goran V. Janjic and Snezana D. Zaric 10.1
Introduction 243 10.2 Interactions with Organic À-Systems 244 10.3
Interactions with À-Systems of Chelate Rings 254 11 Intermolecular C-H * *
* À(Chelate) Interactions - Prevalence in the Crystal Structures of Metal
1,1-Dithiolates 275 Julio Zukerman-Schpector and Edward R.T. Tiekink 11.1
Introduction 275 11.2 Methodology and Preliminary Survey 277 11.3
Supramolecular Architectures Based on C-H* * ·À Interactions 280 11.4
Discussion and Conclusions 295 12 Supramolecular Aggregation Patterns and
Stereochemical Consequences of Tellurium(Lone Pair)* * ·À(Aryl)
Interactions 301 Ionel Haiduc, Edward R.T. Tiekink and Julio
Zukerman-Schpector 12.1 Introduction 301 12.2 Methodology 302 12.3 Results
303 12.4 The Influence of Te(Lone Pair)* * ·À(Aryl) Synthons Upon
Coordination Geometry 318 12.5 Summary and Conclusions 319 13
Supramolecular Assembly of Silver(I) Complexes with Argentophilic and
Silver. . .Carbon Interactions 323 Thomas C. W. Mak, Liang Zhao and Xiao-Li
Zhao 13.1 Introduction 323 13.2 Silver Double/Multiple Salts Containing
Ag2C2 326 13.3 Supramolecular Assembly of Silver(I) Double/Triple Salts
with Potentially Exo-Bidentate Ligands 332 13.4 Silver(I) Multiple Salts of
1,3-Butadiynediide (C4²-) 337 13.5 Supramolecular Assembly with Silver
tert-Butylethynide 338 13.6 Double/Multiple Salts of Silver Arylethynides
342 13.7 Assembly of Silver-Heteroaromatic Ethynide Supramolecular Synthons
R-C=C Agn (n = 4, 5) (R = Thienyl, Pyridyl, Pyrazinyl, Pyrimidyl) 346 13.8
Assembly of Silver-Ethynide Supramolecular Synthon Assisted by Silver. .
.Aromatic Interaction 350 13.9 Assembly of Silver-Ethynide Supramolecular
Synthon Assisted by Intermolecular Silver. . .Halogen Interaction 352 13.10
Coordination Networks Constructed of Multinuclear C2@Agn Aggregates and
Polyoxometalate Species 353 13.11 Supramolecular Assembly of Large
Silver-Ethynide Clusters 355 13.12 Conclusion and Outlook 363
Acknowledgments 363 References 364 Index 367