GAUTAM R. DESIRAJU and THOMAS STEINER
- Published in print:
- 2001
- Published Online:
- January 2010
- ISBN:
- 9780198509707
- eISBN:
- 9780191708206
- Item type:
- chapter
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/acprof:oso/9780198509707.003.0001
- Subject:
- Physics, Crystallography
The hydrogen bond is a unique phenomenon in both structural chemistry and structural biology. Its fundamental importance lies in its role in molecular association. Its functional importance stems ...
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The hydrogen bond is a unique phenomenon in both structural chemistry and structural biology. Its fundamental importance lies in its role in molecular association. Its functional importance stems from both thermodynamic and kinetic reasons. In supramolecular chemistry, the hydrogen bond is able to control and direct the structures of molecular assemblies because it is sufficiently strong and sufficiently directional. In this introductory chapter, a historical background of the hydrogen bond is presented. The geometrical parameters and definitions of a hydrogen bond are then discussed, along with energetic parameters and definitions, the weak or non-conventional hydrogen bond, classification of hydrogen bonds, the nature of the hydrogen bond interaction and its limits, differences between strong and weak hydrogen bonds, and methods of studying weak hydrogen bonds including crystal structure analysis, vibrational spectroscopy, gas-phase rotational spectroscopy, and computation.Less
The hydrogen bond is a unique phenomenon in both structural chemistry and structural biology. Its fundamental importance lies in its role in molecular association. Its functional importance stems from both thermodynamic and kinetic reasons. In supramolecular chemistry, the hydrogen bond is able to control and direct the structures of molecular assemblies because it is sufficiently strong and sufficiently directional. In this introductory chapter, a historical background of the hydrogen bond is presented. The geometrical parameters and definitions of a hydrogen bond are then discussed, along with energetic parameters and definitions, the weak or non-conventional hydrogen bond, classification of hydrogen bonds, the nature of the hydrogen bond interaction and its limits, differences between strong and weak hydrogen bonds, and methods of studying weak hydrogen bonds including crystal structure analysis, vibrational spectroscopy, gas-phase rotational spectroscopy, and computation.
GAUTAM R. DESIRAJU and THOMAS STEINER
- Published in print:
- 2001
- Published Online:
- January 2010
- ISBN:
- 9780198509707
- eISBN:
- 9780191708206
- Item type:
- chapter
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/acprof:oso/9780198509707.003.0002
- Subject:
- Physics, Crystallography
Many, if not all, attributes of the classical hydrogen bond, X-H···A, would seem to derive from the fact that X and A are electronegative elements and from the unique electronic configuration of the ...
More
Many, if not all, attributes of the classical hydrogen bond, X-H···A, would seem to derive from the fact that X and A are electronegative elements and from the unique electronic configuration of the H atom that permits close approaches of the X and A atoms. Indeed, it is only this combination of circumstances that makes this type of association possible, thus rendering the term ‘hydrogen bond’ so appropriate. The difference between strong and weak hydrogen bonding lies in the fact that in the latter situation, one or both of the atoms X and A are of moderate electronegativity only. This chapter looks at archetypes of the weak hydrogen bond -C-H···O and C-H···N interactions in organic and organometallic systems, along with the general properties of the weak hydrogen bond, vibrational spectroscopy of the weak hydrogen bond, reduction of thermal vibrations, computatioaal studies and hydrogen bond energies, cooperativity, hardness and softness, and weak hydrogen bonds in liquids and solution.Less
Many, if not all, attributes of the classical hydrogen bond, X-H···A, would seem to derive from the fact that X and A are electronegative elements and from the unique electronic configuration of the H atom that permits close approaches of the X and A atoms. Indeed, it is only this combination of circumstances that makes this type of association possible, thus rendering the term ‘hydrogen bond’ so appropriate. The difference between strong and weak hydrogen bonding lies in the fact that in the latter situation, one or both of the atoms X and A are of moderate electronegativity only. This chapter looks at archetypes of the weak hydrogen bond -C-H···O and C-H···N interactions in organic and organometallic systems, along with the general properties of the weak hydrogen bond, vibrational spectroscopy of the weak hydrogen bond, reduction of thermal vibrations, computatioaal studies and hydrogen bond energies, cooperativity, hardness and softness, and weak hydrogen bonds in liquids and solution.
Wai-Kee Li, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak
- Published in print:
- 2012
- Published Online:
- December 2013
- ISBN:
- 9780199658497
- eISBN:
- 9780191775055
- Item type:
- chapter
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/acprof:oso/9780199658497.003.0008
- Subject:
- Physics, Crystallography, Condensed Matter Physics / Materials
This chapter presents twenty-one problems covering the subject of vibrational spectroscopy, along with the corresponding solutions.
This chapter presents twenty-one problems covering the subject of vibrational spectroscopy, along with the corresponding solutions.
Wai-Kee Li, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak
- Published in print:
- 2012
- Published Online:
- December 2013
- ISBN:
- 9780199658497
- eISBN:
- 9780191775055
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/acprof:oso/9780199658497.001.0001
- Subject:
- Physics, Crystallography, Condensed Matter Physics / Materials
This book consists of over 300 problems (and their solutions) in structural inorganic chemistry. The topics covered are: atomic and molecular electronic states, atomic orbitals, hybrid orbitals, ...
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This book consists of over 300 problems (and their solutions) in structural inorganic chemistry. The topics covered are: atomic and molecular electronic states, atomic orbitals, hybrid orbitals, molecular symmetry, molecular geometry and bonding, crystal field theory, molecular orbital theory, vibrational spectroscopy, and crystal structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors at The Chinese University of Hong Kong over the past four decades.Less
This book consists of over 300 problems (and their solutions) in structural inorganic chemistry. The topics covered are: atomic and molecular electronic states, atomic orbitals, hybrid orbitals, molecular symmetry, molecular geometry and bonding, crystal field theory, molecular orbital theory, vibrational spectroscopy, and crystal structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors at The Chinese University of Hong Kong over the past four decades.
Wai-Kee Li, Hung Kay Lee, Dennis Kee Pui Ng, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak
- Published in print:
- 2018
- Published Online:
- January 2019
- ISBN:
- 9780198823902
- eISBN:
- 9780191862724
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780198823902.001.0001
- Subject:
- Physics, Crystallography, Condensed Matter Physics / Materials
The First Edition of this book, which appeared in 2013, serves as a problem text for Part I (Fundamentals of Chemical Bonding) and Part II (Symmetry in Chemistry) of the book Advanced Structural ...
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The First Edition of this book, which appeared in 2013, serves as a problem text for Part I (Fundamentals of Chemical Bonding) and Part II (Symmetry in Chemistry) of the book Advanced Structural Inorganic Chemistry published by Oxford University Press in 2008. A Chinese edition was published by Peking University Press in August in the same year. Since then the authors have received much feedback from users and reviewers, which prompted them to prepare a Second Edition for students ranging from freshmen to senior undergraduates who aspire to attend graduate school after finishing their first degree in Chemistry. Four new chapters are added to this expanded Second Edition, which now contains over 400 problems and their solutions. The topics covered in 13 chapters follow the sequence: electronic states and configurations of atoms and molecules, introductory quantum chemistry, atomic orbitals, hybrid orbitals, molecular symmetry, molecular geometry and bonding, crystal field theory, molecular orbital theory, vibrational spectroscopy, crystal structure, transition metal chemistry, metal clusters: bonding and reactivity, and bioinorganic chemistry. The problems collected in this volume originate from examination papers and take-home assignments that have been part of the teaching program conducted by senior authors at The Chinese University of Hong Kong over nearly a half-century. Whenever appropriate, source references in the chemical literature are given for readers who wish to delve deeper into the subject. Eight Appendices and a Bibliography listing 157 reference books are provided to students and teachers who wish to look up comprehensive presentations of specific topics.Less
The First Edition of this book, which appeared in 2013, serves as a problem text for Part I (Fundamentals of Chemical Bonding) and Part II (Symmetry in Chemistry) of the book Advanced Structural Inorganic Chemistry published by Oxford University Press in 2008. A Chinese edition was published by Peking University Press in August in the same year. Since then the authors have received much feedback from users and reviewers, which prompted them to prepare a Second Edition for students ranging from freshmen to senior undergraduates who aspire to attend graduate school after finishing their first degree in Chemistry. Four new chapters are added to this expanded Second Edition, which now contains over 400 problems and their solutions. The topics covered in 13 chapters follow the sequence: electronic states and configurations of atoms and molecules, introductory quantum chemistry, atomic orbitals, hybrid orbitals, molecular symmetry, molecular geometry and bonding, crystal field theory, molecular orbital theory, vibrational spectroscopy, crystal structure, transition metal chemistry, metal clusters: bonding and reactivity, and bioinorganic chemistry. The problems collected in this volume originate from examination papers and take-home assignments that have been part of the teaching program conducted by senior authors at The Chinese University of Hong Kong over nearly a half-century. Whenever appropriate, source references in the chemical literature are given for readers who wish to delve deeper into the subject. Eight Appendices and a Bibliography listing 157 reference books are provided to students and teachers who wish to look up comprehensive presentations of specific topics.
