Stéphane Humbel et al. give a survey of their Hückel-derived Valence Bond
methods for the mesomeric description of p-conjugated systems through localized
Lewis structures, while presenting their friendly HuLiS freeware. In a more specific
prospect, Jean-PaulMalrieu, et al. show that the topological Hückel mono-electronic
Hamiltonian and Hubbard bi-electronic Hamiltonian provide valuable tools for the
study of magnetic properties of open-shell p-conjugated hydrocarbons.
The last section is devoted to applications of various topological methods for the
characterization of particular weak bonds or interactions. The case of hydrogen and
halogen bonding is addressed in the first three chapters by Slavomir Grabowski,
Laurent Joubert and Vincent Tognetti, and Manuel Yañez et al. respectively. The
characterization of non-covalent interactions is then reviewed by Julia
Contreras-Garcia et al. The diversity of nitrogen-oxygen bonds is illustrated by
Slawomir Berski and Agnieszka J. Gordon. Finally, relativistic effects on bonding
schemes such as the charge-shift bonding character of actinide oxides are examined
by Julien Pilmé et al. through combined ELF and QTAIM topological analyses.
In a whole, the volume gives a selected but topical overview of the value of
topological methods for an improved understanding of chemical structure and
reactivity. It thus outlines the prospects while providing inspiration for future
developments in this field.
References
1. Dalton J (1808) New system of chemical philosophy. R. Bickerstaff, London
2. Brown AC (1864) Trans Roy Soc Edinb 23:707
3. Brown AC (1865) J Chem Soc 18:230
4. Babaev EV (1999) Chemical topology: introduction and fundamentals. In: Bonchev D,
Rouvray R (eds). Gordon and Breach, Reading, pp 167–264
5. Sylvester JJ (1878) Nature 17:284
6. Kekulé von Stardonitz FA (1857) Annalen der Chemie und Pharmacie 106:129
7. Lewis GN (1916) J Am Chem Soc 38:762
8. Berzélius JJ (1819) Essai sur la théorie des proportions chimiques et sur l’influence chimique
de l’électricité, par J. J. Berzélius,… Traduit du suédois sous les yeux de l’auteur et publié par
lui-même. Méquignon-Marvis, Paris
9. Laming R (1845) Phil Mag 27:420
10. Abegg A, Anorg Z (1904) Chem 39:330
11. Thomson JJ (1904) Phil Mag 7:237
12. Huggins ML (1922) Science 55:679
13. Ingold CK (1922) J Chem Soc 121:1133
14. Ingold CK (1933) J Chem Soc 143:1120
15. Linnett JW (1961) J Am Chem Soc 83:2643
16. Linnett JW (1964) The electronic structure of molecules. A new approach. Methuen, London
17. Maraval V, Chauvin R (2007) New J Chem 31:1853
18. Chauvin R (1996) J Math Chem 19:147
19. Sidgwick NV, Powell HM (1940) Proc Roy Soc A 176:153
20. Gillespie RJ, Nyholm RS (1957) Quart Rev Chem Soc 11:339
21. Gillespie RJ (1963) J Chem Educ 40:295
22. Gillespie RJ (1991) Chem Soc Rev 21:59
18
B. Silvi et al.
methods for the mesomeric description of p-conjugated systems through localized
Lewis structures, while presenting their friendly HuLiS freeware. In a more specific
prospect, Jean-PaulMalrieu, et al. show that the topological Hückel mono-electronic
Hamiltonian and Hubbard bi-electronic Hamiltonian provide valuable tools for the
study of magnetic properties of open-shell p-conjugated hydrocarbons.
The last section is devoted to applications of various topological methods for the
characterization of particular weak bonds or interactions. The case of hydrogen and
halogen bonding is addressed in the first three chapters by Slavomir Grabowski,
Laurent Joubert and Vincent Tognetti, and Manuel Yañez et al. respectively. The
characterization of non-covalent interactions is then reviewed by Julia
Contreras-Garcia et al. The diversity of nitrogen-oxygen bonds is illustrated by
Slawomir Berski and Agnieszka J. Gordon. Finally, relativistic effects on bonding
schemes such as the charge-shift bonding character of actinide oxides are examined
by Julien Pilmé et al. through combined ELF and QTAIM topological analyses.
In a whole, the volume gives a selected but topical overview of the value of
topological methods for an improved understanding of chemical structure and
reactivity. It thus outlines the prospects while providing inspiration for future
developments in this field.
References
1. Dalton J (1808) New system of chemical philosophy. R. Bickerstaff, London
2. Brown AC (1864) Trans Roy Soc Edinb 23:707
3. Brown AC (1865) J Chem Soc 18:230
4. Babaev EV (1999) Chemical topology: introduction and fundamentals. In: Bonchev D,
Rouvray R (eds). Gordon and Breach, Reading, pp 167–264
5. Sylvester JJ (1878) Nature 17:284
6. Kekulé von Stardonitz FA (1857) Annalen der Chemie und Pharmacie 106:129
7. Lewis GN (1916) J Am Chem Soc 38:762
8. Berzélius JJ (1819) Essai sur la théorie des proportions chimiques et sur l’influence chimique
de l’électricité, par J. J. Berzélius,… Traduit du suédois sous les yeux de l’auteur et publié par
lui-même. Méquignon-Marvis, Paris
9. Laming R (1845) Phil Mag 27:420
10. Abegg A, Anorg Z (1904) Chem 39:330
11. Thomson JJ (1904) Phil Mag 7:237
12. Huggins ML (1922) Science 55:679
13. Ingold CK (1922) J Chem Soc 121:1133
14. Ingold CK (1933) J Chem Soc 143:1120
15. Linnett JW (1961) J Am Chem Soc 83:2643
16. Linnett JW (1964) The electronic structure of molecules. A new approach. Methuen, London
17. Maraval V, Chauvin R (2007) New J Chem 31:1853
18. Chauvin R (1996) J Math Chem 19:147
19. Sidgwick NV, Powell HM (1940) Proc Roy Soc A 176:153
20. Gillespie RJ, Nyholm RS (1957) Quart Rev Chem Soc 11:339
21. Gillespie RJ (1963) J Chem Educ 40:295
22. Gillespie RJ (1991) Chem Soc Rev 21:59
18
B. Silvi et al.