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Aromaticity from the viewpoint of molecular geometry: application to planar systems. Chem
Rev 114:6383–6422
41. Krygowski TM, Stepien BT (2005) σ- and π-electron delocalization: focus on substituent
effects. Chem Rev 105:3482–3512
42. Krygowski TM, Cyranski MK (2001) Structural aspect of aromaticity. Chem Rev 101:
1385–1419
43. Kruszewski J, Krygowski TM (1972) Definition of aromaticity basing on the harmonic
oscillator model. Tetrahedron Lett 3839–3842
44. Chen Z, Wannere CS, Corminboeuf C, Puchta R, Schleyer PvR (2005) Nucleus-independent
chemical shifts (NICS) as an aromaticity criterion. Chem Rev 105:3842–3888
45. Schleyer PvR, Manoharan M, Wang Z-X, Kiran B, Jiao H, Puchta R, Hommes NJRVE
(2001) Dissected nucleus-independent chemical shift analysis of π-aromaticity and
antiaromaticity. Org Lett 3:2465–2468
46. Schleyer PvR, Maerker C, Dransfeld A, Jiao H, Hommes NJRVE (1996)
Nucleus-Independent chemical shifts: a simple and efficient aromaticity probe. J Am
Chem Soc 118:6317–6318
47. Memory JD, Wilson NK (1982) NMR of aromatic compounds. Wiley, New York
48. Mitchell RH (2001) Measuring aromaticity by NMR. Chem Rev 101:1301–1315
49. Gomes JANF, Mallion RB (2001) Aromaticity and ring currents. Chem Rev 101:1349–1383
50. Keith TA, Bader RFW (1993) Topological analysis of magnetically induced molecular
current distributions. J Chem Phys 99:3669–3682
51. Keith TA, Bader RFW (1996) Use of electron charge and current distributions in the
determination of atomic contributions to magnetic properties. Int J Quantum Chem 60:
373–379
52. Badger GM (1969) Aromatic character and aromaticity. Cambridge University Press,
Cambridge
53. Slayden SW, Liebman JF (2001) The energetics of aromatic hydrocarbons: an experimental
thermochemical perspective. Chem Rev 101:1541–1566
54. Cyranski MK (2005) Energetic aspects of cyclic & σ-electron delocalization: Evaluation of
the methods of estimating aromatic stabilization energies. Chem Rev 105:3773–3811
55. Sivaramakrishnan R, Tranter RS, Brezinsky K (2005) Ring conserved isodesmic reactions: a
new method for estimating the heats of formation of aromatics and PAHs. J Phys Chem A
109:1621–1628
56. Poater J, Fradera X, Duran M, Solà M (2003) The delocalization index as an electronic
aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons.
Chem Eur J 9:400–406
57. Poater J, Fradera X, Duran M, Solà M (2003) An insight into local aromaticities of polycyclic
aromatic hydrocarbons and fullerenes. Chem Eur J 9:1113–1122
58. Matta CF, Hernández-Trujillo J (2005) Bonding in polycyclic aromatic hydrocarbons in
terms of the the electron density and of electron delocalization. J Phys Chem A 107:
7496–7504 (Correction: J Phys Chem A (2005) 109:10798)
59. Matito E, Duran M, Solà M (2005) The aromatic fluctuation index (FLU): a new aromaticity
index based on electron delocalization. J Chem Phys 122:014109
60. Poater J, Duran M, Solà M, Silvi B (2005) Theoretical evaluation of electron delocalization
in aromatic molecules by means of atoms in molecules (AIM) and electron localization
function (ELF) topological approaches. Chem Rev 105:3911–3947
61. Portella G, Poater J, Bofill JM, Alemany P, Solà M (2005) Local aromaticity of [n]acenes, [n]
phenacenes, and [n]helicenes (n = 1–9). J Org Chem 70:2509–2521
62. Matito E, Poater J, Solà M (2007) Aromaticity analyses by means of the quantum theory of
atoms in molecules. In: Matta CF (ed) The quantum theory of atoms in molecules: from solid
state to DNA and drug design. Wiley-VCH, Weinheim, pp 399–423
63. Firme CI, Galembeck SE, Antunes OAC, Esteves PM (2007) Density, degeneracy,
delocalization-based index of aromaticity (D3BIA). J Braz Chem Soc 18:1397–1404
86
C.F. Matta et al.
Aromaticity from the viewpoint of molecular geometry: application to planar systems. Chem
Rev 114:6383–6422
41. Krygowski TM, Stepien BT (2005) σ- and π-electron delocalization: focus on substituent
effects. Chem Rev 105:3482–3512
42. Krygowski TM, Cyranski MK (2001) Structural aspect of aromaticity. Chem Rev 101:
1385–1419
43. Kruszewski J, Krygowski TM (1972) Definition of aromaticity basing on the harmonic
oscillator model. Tetrahedron Lett 3839–3842
44. Chen Z, Wannere CS, Corminboeuf C, Puchta R, Schleyer PvR (2005) Nucleus-independent
chemical shifts (NICS) as an aromaticity criterion. Chem Rev 105:3842–3888
45. Schleyer PvR, Manoharan M, Wang Z-X, Kiran B, Jiao H, Puchta R, Hommes NJRVE
(2001) Dissected nucleus-independent chemical shift analysis of π-aromaticity and
antiaromaticity. Org Lett 3:2465–2468
46. Schleyer PvR, Maerker C, Dransfeld A, Jiao H, Hommes NJRVE (1996)
Nucleus-Independent chemical shifts: a simple and efficient aromaticity probe. J Am
Chem Soc 118:6317–6318
47. Memory JD, Wilson NK (1982) NMR of aromatic compounds. Wiley, New York
48. Mitchell RH (2001) Measuring aromaticity by NMR. Chem Rev 101:1301–1315
49. Gomes JANF, Mallion RB (2001) Aromaticity and ring currents. Chem Rev 101:1349–1383
50. Keith TA, Bader RFW (1993) Topological analysis of magnetically induced molecular
current distributions. J Chem Phys 99:3669–3682
51. Keith TA, Bader RFW (1996) Use of electron charge and current distributions in the
determination of atomic contributions to magnetic properties. Int J Quantum Chem 60:
373–379
52. Badger GM (1969) Aromatic character and aromaticity. Cambridge University Press,
Cambridge
53. Slayden SW, Liebman JF (2001) The energetics of aromatic hydrocarbons: an experimental
thermochemical perspective. Chem Rev 101:1541–1566
54. Cyranski MK (2005) Energetic aspects of cyclic & σ-electron delocalization: Evaluation of
the methods of estimating aromatic stabilization energies. Chem Rev 105:3773–3811
55. Sivaramakrishnan R, Tranter RS, Brezinsky K (2005) Ring conserved isodesmic reactions: a
new method for estimating the heats of formation of aromatics and PAHs. J Phys Chem A
109:1621–1628
56. Poater J, Fradera X, Duran M, Solà M (2003) The delocalization index as an electronic
aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons.
Chem Eur J 9:400–406
57. Poater J, Fradera X, Duran M, Solà M (2003) An insight into local aromaticities of polycyclic
aromatic hydrocarbons and fullerenes. Chem Eur J 9:1113–1122
58. Matta CF, Hernández-Trujillo J (2005) Bonding in polycyclic aromatic hydrocarbons in
terms of the the electron density and of electron delocalization. J Phys Chem A 107:
7496–7504 (Correction: J Phys Chem A (2005) 109:10798)
59. Matito E, Duran M, Solà M (2005) The aromatic fluctuation index (FLU): a new aromaticity
index based on electron delocalization. J Chem Phys 122:014109
60. Poater J, Duran M, Solà M, Silvi B (2005) Theoretical evaluation of electron delocalization
in aromatic molecules by means of atoms in molecules (AIM) and electron localization
function (ELF) topological approaches. Chem Rev 105:3911–3947
61. Portella G, Poater J, Bofill JM, Alemany P, Solà M (2005) Local aromaticity of [n]acenes, [n]
phenacenes, and [n]helicenes (n = 1–9). J Org Chem 70:2509–2521
62. Matito E, Poater J, Solà M (2007) Aromaticity analyses by means of the quantum theory of
atoms in molecules. In: Matta CF (ed) The quantum theory of atoms in molecules: from solid
state to DNA and drug design. Wiley-VCH, Weinheim, pp 399–423
63. Firme CI, Galembeck SE, Antunes OAC, Esteves PM (2007) Density, degeneracy,
delocalization-based index of aromaticity (D3BIA). J Braz Chem Soc 18:1397–1404
86
C.F. Matta et al.