Noble Gas Chemistry :Structure, Bonding, and Gas-Phase Chemistry

Publication subTitle :Structure, Bonding, and Gas-Phase Chemistry

Author: Felice Grandinetti  

Publisher: John Wiley & Sons Inc‎

Publication year: 2018

E-ISBN: 9783527803521

P-ISBN(Paperback): 9783527341801

Subject: O613.1 Group zero elementneutral element, an inert gas or inert gas (rare gas).

Language: ENG

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Chapter

Chapter 2 Typical Compounds and Bonding Motifs

2.1 General Considerations

2.2 Clusters of Noble Gas Atoms

2.3 Monocoordinated Compounds

2.4 Dicoordinated (‘Inserted’) Compounds

2.5 Polycoordinated Compounds

2.6 Cage, Inclusion, and Adsorption Compounds

2.7 The Effects of the Pressure

Chapter 3 Chemistry in Silico

3.1 The Role of Calculations in Noble Gas Chemistry

3.2 Methods of Bonding Analysis

3.2.1 The AIM Theory

3.2.2 The Analysis of the ELF

3.2.3 The Analysis of the H(r)

3.2.4 The NBO Analysis

3.2.5 The EDA‐NOCV Analysis

3.2.6 The Analysis of the CD Function

3.3 About the Performance of the Theoretical Methods

3.4 Illustrative Examples

3.4.1 Probing the Bonding Character

3.4.2 Structure and Stability of the XeFn (n = 1–6)

3.4.3 Open‐shell Compounds

3.4.4 Exploring the PES

3.4.5 Neutral Compounds of Helium and Neon

3.4.6 Novel Compounds of Argon, Krypton, and Xenon

3.4.7 Radon Compounds

3.4.8 The Aerogen Bond

Part II Gas‐Phase Chemistry of the Noble Gases

Chapter 4 Neutral Species

4.1 Complexes with Atoms and Diatomic Molecules

4.1.1 The Interaction Energy

4.1.2 The Correlation Formulas

4.1.3 The Ng2 and NgNg′

4.1.4 About the van der Waals Radii of the Noble Gases

4.1.5 The Efimov State of He3

4.1.6 Complexes with H2, N2, and O2

4.1.7 Complexes with C2, CO, and CS

4.1.8 Complexes with the Dihalogens

4.1.9 Complexes with the Hydrogen Halides

4.1.10 Complexes with Diatomic Metal Halides

4.2 Complexes with Polyatomic Molecules

4.2.1 Complexes with CO2, CS2, and COS

4.2.2 Complexes with H2O and NH3

4.2.3 Complexes with Hydrocarbons

4.2.4 Complexes with Halocarbons

4.2.5 Complexes with Other Organic Molecules

4.3 Dicoordinated Covalent Compounds

Chapter 5 Ionic Species

5.1 Noble Gases as Ligands of Ionic Species

5.1.1 Complexes with Metal Cations

5.1.2 Complexes with Non‐Metal Cations

5.1.3 Complexes with Anions

5.2 Protonated Noble Gases and Other Related Species

5.2.1 ArH+ as a Naturally Occurring Species

5.2.2 The NgH+ and NgmHn+

5.2.3 Complexes of the NgH+ with Simple Ligands

5.2.4 Other Noble Gas Ions of Potential Interstellar Interest

5.3 Noble Gas Ionic Reactions

5.3.1 Reactions Involving Singly-charged Cations

5.3.2 Reactions Involving Doubly‐charged Cations

Appendix A Chemical Composition of Air

Appendix B Ab Initio and DFT Electronic Structure Methods

Appendix C Atomic Charges of Diatomic Molecules

Appendix D Bond Distances and Polarisabilities of Diatomic Molecules

References

Index

EULA

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