8. Stewart RF, Bentley J, Goodman B (1975) Generalized X-ray scattering factors in diatomic
molecules. J Chem Phys 63:3786–3793
9. Gatti C, Macchi P (eds) (2012) Modern charge density analysis. Springer, Dordrecht
10. Lo Presti L, Gatti C (2009) Using the source function descriptor to dampen the multipole
model bias in charge density studies from X-ray structure factor refinements. Chem Phys Lett
476:308–316
11. Farrugia LJ, Cameron E, Tegel M (2006) Chemical bonds without “chemical bonding”? a
combined experimental and theoretical charge density study on an iron trimethylenemethane
complex. J Phys Chem A 110:7952–7961
12. Farrugia LJ, Cameron E, Lenz D et al (2009) The QTAIM approach to chemical bonding
between transition metals and carbocyclic rings: a combined experimental and theoretical
study of (η
5
-C 5 H 5 )Mn(CO) 3 , (η
6 -C 6 H 6 )Cr(CO) 3 , and (E)-{(η
5
-C 5 H 4 )CF-CF(η
5
-C 5 H 4 )}(η
5
-
C 5 H 5 ) 2 Fe 2 . J Am Chem Soc 131:1251–1268
13. McGrady GS, Sirsch P, Chatterton NP et al (2009) Nature of the bonding in metal-silane σcomplexes. Inorg Chem 48:1588–1598
14. Gatti C, Lasi D (2007) Source function description of metal–metal bonding in d-block
organometallic compounds. Faraday Discuss 135:55–78
15. Monza E, Gatti C, Lo Presti L et al (2011) Revealing electron delocalization through the
source function. J Phys Chem A 115:12864–12878
16. Lo Presti L, Ellern A, Destro R et al (2011) Rationalizing the effect of halogenation on the
molecular structure of simple cyclobutene derivatives by topological real-space analysis of
their electron density. J Phys Chem A 115:12695–12707
17. Schmökel M, Cenedese S, Overgaard J et al (2012) Testing the concept of hypervalency:
charge density analysis of K 2 SO 4 . Inorg Chem 51:8607–8616
18. Engels B, Schmidt TC, Gatti C et al (2012) Challenging problems in charge density
determination. Struct Bond 147:47–98
19. Cocq K, Lepetit C, Maraval V et al (2015) “Carbo-aromaticity” and novel carbo-aromatic
compounds. Chem Soc Rev 44:6535–6559. doi:10.1039/c5cs00244c
20. Bader RFW, Slee S, Cremer D et al (1983) Description of conjugation and hyperconjugation
in terms of electron distributions. J Am Chem Soc 105:5061–5068
21. Cremer D, Kraka E, Slee S et al (1983) Description of homoaromaticity in terms of electron
distributions. J Am Chem Soc 105:5069–5075
22. Barzaghi M, Gatti C (1987) Homoaromaticity versus Mobius aromaticity. J Chimie Physique
84:783–789
23. Gatti C, Barzaghi M, Simonetta M (1985) Charge density topological approach to the
Dinorcaradiene↔[10]Annulene equilibrium in some 11, 11-Disubstituted 1,6-Methane[10]
annulenes. J Am Chem Soc 107:878–887
24. Simonetta M, Barzaghi M, Gatti C (1986) Cyclopropane ring closure in 11,11-Disubstituted
1,6-methano[10]annuelens. J Mol Struct (THEOCHEM) 138:39–50
25. Mc Weeney R (1960) Some recent advances in density matrix theory. Rev Mod Phys 32:335–
369
26. Bader RFW, Stephens ME (1975) Spatial localization of the electronic pair and number
distributions in molecules. J Am Chem Soc 97:7391–7399
27. Fradera X, Austen MA, Bader RFW (1999) The Lewis model and beyond. J Phys Chem A
103:304–314
28. Poater J, Fradera X, Duran M et al (2003) The delocalization index as an electronic aromaticity
criterion: application to a series of planar polycyclic aromatic hydrocarbons. Chem Eur J
9:400–406
29. Matta CF, Hernàndez-Trujillo J (2003) Bonding in polycyclic aromatic hydrocarbons in terms
of the electron density and of electron delocalization. J Phys Chem A 107:7496–7504
30. Kruszewski J, Krygowski TM (1972) Definition of aromaticity basing on the harmonic
oscillator model. Tetrahedron Lett 13:3839–3842
31. Krygowski TM (1993) Crystallographic studies of inter- and intramolecular interactions
reflected in aromatic character of π-electron systems. J Chem Inf Comput Sci 33:70–79
126
C. Gatti et al.
molecules. J Chem Phys 63:3786–3793
9. Gatti C, Macchi P (eds) (2012) Modern charge density analysis. Springer, Dordrecht
10. Lo Presti L, Gatti C (2009) Using the source function descriptor to dampen the multipole
model bias in charge density studies from X-ray structure factor refinements. Chem Phys Lett
476:308–316
11. Farrugia LJ, Cameron E, Tegel M (2006) Chemical bonds without “chemical bonding”? a
combined experimental and theoretical charge density study on an iron trimethylenemethane
complex. J Phys Chem A 110:7952–7961
12. Farrugia LJ, Cameron E, Lenz D et al (2009) The QTAIM approach to chemical bonding
between transition metals and carbocyclic rings: a combined experimental and theoretical
study of (η
5
-C 5 H 5 )Mn(CO) 3 , (η
6 -C 6 H 6 )Cr(CO) 3 , and (E)-{(η
5
-C 5 H 4 )CF-CF(η
5
-C 5 H 4 )}(η
5
-
C 5 H 5 ) 2 Fe 2 . J Am Chem Soc 131:1251–1268
13. McGrady GS, Sirsch P, Chatterton NP et al (2009) Nature of the bonding in metal-silane σcomplexes. Inorg Chem 48:1588–1598
14. Gatti C, Lasi D (2007) Source function description of metal–metal bonding in d-block
organometallic compounds. Faraday Discuss 135:55–78
15. Monza E, Gatti C, Lo Presti L et al (2011) Revealing electron delocalization through the
source function. J Phys Chem A 115:12864–12878
16. Lo Presti L, Ellern A, Destro R et al (2011) Rationalizing the effect of halogenation on the
molecular structure of simple cyclobutene derivatives by topological real-space analysis of
their electron density. J Phys Chem A 115:12695–12707
17. Schmökel M, Cenedese S, Overgaard J et al (2012) Testing the concept of hypervalency:
charge density analysis of K 2 SO 4 . Inorg Chem 51:8607–8616
18. Engels B, Schmidt TC, Gatti C et al (2012) Challenging problems in charge density
determination. Struct Bond 147:47–98
19. Cocq K, Lepetit C, Maraval V et al (2015) “Carbo-aromaticity” and novel carbo-aromatic
compounds. Chem Soc Rev 44:6535–6559. doi:10.1039/c5cs00244c
20. Bader RFW, Slee S, Cremer D et al (1983) Description of conjugation and hyperconjugation
in terms of electron distributions. J Am Chem Soc 105:5061–5068
21. Cremer D, Kraka E, Slee S et al (1983) Description of homoaromaticity in terms of electron
distributions. J Am Chem Soc 105:5069–5075
22. Barzaghi M, Gatti C (1987) Homoaromaticity versus Mobius aromaticity. J Chimie Physique
84:783–789
23. Gatti C, Barzaghi M, Simonetta M (1985) Charge density topological approach to the
Dinorcaradiene↔[10]Annulene equilibrium in some 11, 11-Disubstituted 1,6-Methane[10]
annulenes. J Am Chem Soc 107:878–887
24. Simonetta M, Barzaghi M, Gatti C (1986) Cyclopropane ring closure in 11,11-Disubstituted
1,6-methano[10]annuelens. J Mol Struct (THEOCHEM) 138:39–50
25. Mc Weeney R (1960) Some recent advances in density matrix theory. Rev Mod Phys 32:335–
369
26. Bader RFW, Stephens ME (1975) Spatial localization of the electronic pair and number
distributions in molecules. J Am Chem Soc 97:7391–7399
27. Fradera X, Austen MA, Bader RFW (1999) The Lewis model and beyond. J Phys Chem A
103:304–314
28. Poater J, Fradera X, Duran M et al (2003) The delocalization index as an electronic aromaticity
criterion: application to a series of planar polycyclic aromatic hydrocarbons. Chem Eur J
9:400–406
29. Matta CF, Hernàndez-Trujillo J (2003) Bonding in polycyclic aromatic hydrocarbons in terms
of the electron density and of electron delocalization. J Phys Chem A 107:7496–7504
30. Kruszewski J, Krygowski TM (1972) Definition of aromaticity basing on the harmonic
oscillator model. Tetrahedron Lett 13:3839–3842
31. Krygowski TM (1993) Crystallographic studies of inter- and intramolecular interactions
reflected in aromatic character of π-electron systems. J Chem Inf Comput Sci 33:70–79
126
C. Gatti et al.