The weak hydrogen bond : in structural chemistry and biology

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The weak hydrogen bond : in structural chemistry and biology / Gautam R. Desiraju and Thomas Steiner

資料種別:

図書

出版情報:

Oxford : Oxford University Press, 1999

形態:

xiv, 507 p. ; 24 cm

シリーズ名:

International Union of Crystallography monographs on crystallography ; 9 <BA14312752>

著者名:

ISBN:

9780198502524 [0198502524]

書誌ID:

BA43760098

子書誌情報

フルテキスト

所蔵情報

他の版・巻

書誌詳細

注記:

Includes bibliographical references and indexes

主題:

Hydrogen bonding

言語:

英語

目次情報:

Acknowledgements

Introduction / 1：

The hydrogen bond / 1.1：

Historical background / 1.1.1：

Geometrical parameters and definitions / 1.1.2：

Energetic parameters and definitions / 1.1.3：

The weak or non-conventional hydrogen bond - scope of this work / 1.2：

Classification of hydrogen bonds / 1.2.1：

The nature of the hydrogen bond interaction and its limits / 1.2.2：

Differences between strong and weak hydrogen bonds / 1.2.3：

Methods of studying weak hydrogen bonds / 1.3：

Crystal structure analysis and statistical treatment of these results / 1.3.1：

Vibrational spectroscopy / 1.3.2：

Gas-phase rotational spectroscopy / 1.3.3：

Computation / 1.3.4：

Summary / 1.4：

Archetypes of the weak hydrogen bond - C--H...O and C--H...N interactions in organic and organometallic systems / 2：

Historical developments / 2.1：

Sutor's study / 2.1.1：

The dark ages / 2.1.2：

The Taylor-Kennard paper / 2.1.3：

General properties / 2.2：

Length properties / 2.2.1：

Angular properties / 2.2.3：

C--H bond lengthening / 2.2.4：

Reduction of thermal vibrations / 2.2.5：

Computational studies and hydrogen bond energies / 2.2.6：

Cooperativity / 2.2.7：

Hardness and softness / 2.2.8：

Intramolecular phenomena / 2.2.9：

Influence on crystal packing / 2.2.10：

Repulsive and destabilizing C--H...O contacts / 2.2.11：

Weak hydrogen bonds in liquids and solution / 2.2.12：

Recapitulation / 2.2.13：

Other weak and non-conventional hydrogen bonds / 3：

[pi]-Acceptors / 3.1：

What is a [pi]-acceptor? / 3.1.1：

Solution and gas phase experiments / 3.1.2：

Phenyl groups / 3.1.3：

Alkynes / 3.1.4：

Alkenes / 3.1.5：

Heterocycles / 3.1.6：

Other [pi]-acceptors / 3.1.7：

Weak atomic acceptors / 3.2：

Group VII elements - covalent halogen / 3.2.1：

Group VI elements - S, Se and Te / 3.2.2：

Group V elements - P, As and Sb / 3.2.3：

Group IV elements - isonitriles, carbanions, carbenes and silylenes / 3.2.4：

Halide anions / 3.3：

Weak donors / 3.4：

S--H / 3.4.1：

P--H and P[superscript +]--H / 3.4.2：

Se--H, As--H and Si--H / 3.4.3：

Organometallics / 3.5：

Metal atoms as acceptors - X--H...M hydrogen bonds / 3.5.1：

Metal atom groups as donors - M--H...A hydrogen bonds / 3.5.2：

Agostic interactions - M...(H--C) / 3.5.3：

Other varieties / 3.6：

The dihydrogen bond - X--H...H--M / 3.6.1：

The inverse hydrogen bond - X--H[superscript -]...A[superscript +] / 3.6.2：

The weak hydrogen bond in supramolecular chemistry / 3.7：

The solid state - influence of weak hydrogen bonds on packing / 4.1：

The crystal as a supermolecule / 4.1.1：

Crystal structures wherein weak hydrogen bonds are important / 4.1.2：

Inclusion complexes / 4.2：

Crown ethers / 4.2.1：

Oligoaryl hosts / 4.2.2：

Cyclodextrins (cycloamyloses) / 4.2.3：

Crystal engineering - promises and problems / 4.3：

From molecular to crystal structure / 4.3.1：

The computational approach / 4.3.2：

The experimental approach - database research / 4.3.3：

Crystal engineering in practice - supramolecular synthons / 4.3.4：

Recognition in solution and related phenomena / 4.4：

Supramolecular assistance to molecular synthesis / 4.4.1：

Drug design and biological recognition / 4.4.2：

The weak hydrogen bond in biological structures / 5：

Biological structures are not time-stable / 5.1：

The crystallographic resolution problem / 5.1.2：

Peptides and proteins / 5.2：

The building blocks - amino acids / 5.2.1：

C--H...O hydrogen bonds / 5.2.2：

X--H...[pi] hydrogen bonds / 5.2.3：

Protein-ligand interactions / 5.2.4：

Enzymatic activity / 5.2.5：

Nucleic acids / 5.3：

Nucleic acid constituents / 5.3.1：

Polymeric DNA and RNA / 5.3.2：

Carbohydrates / 5.4：

Chemical constitution / 5.4.1：

Hydrogen bond geometry / 5.4.2：

Functionally important C--H...O hydrogen bonds / 5.4.3：

Water molecules / 5.5：

Organic hydrates / 5.5.1：

Are there water molecules with vacant hydrogen bond potentials? / 5.5.2：

Macromolecular structures / 5.5.3：

Conclusions / 6：

Some bibliographic statistics / Appendix：

References

Index

Acknowledgements

Introduction / 1：

The hydrogen bond / 1.1：

Historical background / 1.1.1：

Geometrical parameters and definitions / 1.1.2：

Energetic parameters and definitions / 1.1.3：

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