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Pure Appl. Chem., 1996, Vol. 68, No. 2, pp. 209-218

http://dx.doi.org/10.1351/pac199668020209

What is aromaticity?

P. Rague von Schleyer and Haijun Jiao

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  • Müller Matthias, Maichle-Mössmer Cäcilia, Sirsch Peter, Bettinger Holger F.: Is There BN Bond-Length Alternation in 1,2:3,4:5,6-Tris(biphenylylene)borazines?. ChemPlusChem 2013, 78, 988. <http://dx.doi.org/10.1002/cplu.201300110>
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  • Nori-Shargh Davood, Yahyaei Hooriye, Mousavi Seiedeh Negar, Maasoomi Akram, Kayi Hakan: Natural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in Al2F6, Al2Cl6, Al2Br6 and Al2I6. J Mol Model 2013, 19, 2549. <http://dx.doi.org/10.1007/s00894-013-1805-0>
  • Zborowski Krzysztof K., Alkorta Ibon, Elguero Jose, Proniewicz Leonard M.: HOMA parameters for the boron–boron bond: How the introduction of a BB bond influences the aromaticity of selected hydrocarbons. Struct Chem 2013, 24, 543. <http://dx.doi.org/10.1007/s11224-012-0109-9>
  • Jin Biao, Jin Qiao: Probing the multiple (δ- and π-) aromaticity of [Hf3F3]− anion, [Hf3F3X2]+ (X=Li, Na, and K), and [Hf3F3Y]+ (Y=Be and Mg) clusters. Computational and Theoretical Chemistry 2013, 1013, 130. <http://dx.doi.org/10.1016/j.comptc.2013.03.003>
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  • Raczyńska Ewa D., Kolczyńska Katarzyna, Stępniewski Tomasz M., Kamińska Beata: On relation between prototropy and electron delocalization for neutral and redox adenine – DFT studies. Computational and Theoretical Chemistry 2013, 1022, 35. <http://dx.doi.org/10.1016/j.comptc.2013.08.009>
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  • Muñoz-Castro Alvaro: On the magnetic behavior of spherical aromatic compounds. Insights from the closo-[B12H12]2− cluster through chemical shift tensor maps. Chemical Physics Letters 2013, 555, 282. <http://dx.doi.org/10.1016/j.cplett.2012.10.083>
  • Sakai Shogo, Kita Yuki: Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices. Chemical Physics Letters 2013, 578, 49. <http://dx.doi.org/10.1016/j.cplett.2013.06.013>
  • Olea Ulloa Carolina, Ponce Vargas Miguel, Guajardo Maturana Raul, Muñoz-Castro Alvaro: Theoretical study of the binding strength and magnetical response properties involved in the formation of the π-donor/π-acceptor [TTF–CBPQT]4+ host–guest system. Polyhedron 2013, 54, 119. <http://dx.doi.org/10.1016/j.poly.2013.02.022>
  • Świderski G., Kalinowska M., Świsłocka R., Wojtulewski S., Lewandowski W.: Spectroscopic (FT-IR, FT-Raman and 1H and 13C NMR) and theoretical in MP2/6-311++G(d,p) and B3LYP/6-311++G(d,p) levels study of benzenesulfonic acid and alkali metal benzenesulfonates. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2013, 100, 41. <http://dx.doi.org/10.1016/j.saa.2012.02.047>
  • Sánchez-Sanz Goar, Trujillo Cristina, Rozas Isabel, Elguero José: A theoretical study on the aromaticity of benzene and related derivatives incorporating a C–CC–C fragment. Tetrahedron 2013, 69, 7333. <http://dx.doi.org/10.1016/j.tet.2013.06.072>
  • Pathak Shubhrodeep, Bast Radovan, Ruud Kenneth: Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals. J. Chem. Theory Comput. 2013, 9, 2189. <http://dx.doi.org/10.1021/ct3011198>
  • Sokolov Alexander Yu., Magers D. Brandon, Wu Judy I., Allen Wesley D., Schleyer Paul v. R., Schaefer Henry F.: Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges. J. Chem. Theory Comput. 2013, 9, 4436. <http://dx.doi.org/10.1021/ct400642y>
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  • Faza Olalla Nieto, López Carlos Silva, Fernández Israel: Noyori Hydrogenation: Aromaticity, Synchronicity, and Activation Strain Analysis. J. Org. Chem. 2013, 78, 5669. <http://dx.doi.org/10.1021/jo400837n>
  • Gershoni-Poranne Renana, Gibson Christopher M., Fowler Patrick W., Stanger Amnon: Concurrence between Current Density, Nucleus-Independent Chemical Shifts, and Aromatic Stabilization Energy: The Case of Isomeric [4]- and [5]Phenylenes. J. Org. Chem. 2013, 78, 7544. <http://dx.doi.org/10.1021/jo4011014>
  • Horner Kate E., Karadakov Peter B.: Chemical Bonding and Aromaticity in Furan, Pyrrole, and Thiophene: A Magnetic Shielding Study. J. Org. Chem. 2013, 78, 8037. <http://dx.doi.org/10.1021/jo401319k>
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  • Rivero Alexandra R., Fernández Israel, Sierra Miguel Ángel: Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor–Acceptor Cyclopropanes. Org. Lett. 2013, 15, 4928. <http://dx.doi.org/10.1021/ol4020656>
  • El-Hamdi Majid, El Bakouri El Farri Ouissam, Salvador Pedro, Abdelouahid Ben Ali, El Begrani Mohamed Soussi, Poater Jordi, Solà Miquel: Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4H4)(PH3)2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO). Organometallics 2013, 32, 4892. <http://dx.doi.org/10.1021/om400629w>
  • Chauvin Remi, Lepetit Christine: The fundamental chemical equation of aromaticity. Phys. Chem. Chem. Phys. 2013, 15, 3855. <http://dx.doi.org/10.1039/c2cp44075j>
  • Gümüş Selçuk, Akbay Murat: A Computational Study on Substituted and Unsubstituted Mono and Diazaanthracenes. Polycyclic Aromatic Compounds 2013, 33, 519. <http://dx.doi.org/10.1080/10406638.2013.816975>
  • Bhattacharyya Soumen, Nguyen Thanh, De Haeck Jorg, Hansen Klavs, Lievens Peter, Janssens Ewald: Mass-selected photodissociation studies of AlPbn+ clusters (n = 7–16): Evidence for the extraordinary stability of AlPb10+ and AlPb12+. Phys. Rev. B 2013, 87. <http://dx.doi.org/10.1103/PhysRevB.87.054103>
  • Luzanov A. V.: Magnetism and the biradicaloid character of π-aromatic and antiaromatic systems in a strong magnetic field. J Struct Chem 2013, 54, 277. <http://dx.doi.org/10.1134/S0022476613020017>
  • CYSEWSKI PIOTR: APPLICATION OF AROMATICITY INDICES AS MOLECULAR DESCRIPTORS FOR PREDICTION OF OPTICAL PROPERTIES OF 9,10-ANTHRAQUINONE DERIVATIVES IN ETHANOL SOLUTION. J. Theor. Comput. Chem. 2013, 12, 1350050. <http://dx.doi.org/10.1142/S0219633613500508>
  • Alonso Mercedes, Geerlings Paul, de Proft Frank: Viability of Möbius Topologies in [26]- and [28]Hexaphyrins. Chem. Eur. J. 2012, 18, 10916. <http://dx.doi.org/10.1002/chem.201200511>
  • Gutman Ivan, Đurđević Jelena, Radenković Slavko, Matović Zoran: Anomalous cyclic conjugation in the perylene/bisanthrene homologous series. Monatsh Chem 2012, 143, 1649. <http://dx.doi.org/10.1007/s00706-012-0840-3>
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  • Nein Yu. I., Morzherin Yu. Yu.: Criteria for aromaticity of mesoionic heterocycles. Russ Chem Bull 2012, 61, 1111. <http://dx.doi.org/10.1007/s11172-012-0150-2>
  • Ferreira de Brito Juliana, Oliveira Ferreira Laís, Ragozoni Pereira Maísa Carla, Paulo da Silva Joaquim, Ramalho Teodorico C.: Adsorption of Aromatic Compounds Under Magnetic Field Influence. Water Air Soil Pollut 2012, 223, 3545. <http://dx.doi.org/10.1007/s11270-012-1132-6>
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  • Chermahini Alireza Najafi, Hosseinzadeh Behzad, Beni Alireza Salimi, Teimouri Abbas: Relation between the substituent effect and aromaticity in imidazole derivatives: A comparative study. Computational and Theoretical Chemistry 2012, 994, 97. <http://dx.doi.org/10.1016/j.comptc.2012.06.024>
  • Camacho Gonzalez Johanna, Muñoz-Castro Alvaro: Survey of the magnetic behavior of [TTF] and [TTF2]2+ from shielding tensor maps. Chemical Physics Letters 2012, 543, 184. <http://dx.doi.org/10.1016/j.cplett.2012.06.028>
  • Hu HengBin, Chen XiangYi, Deng Song, Cai Feng, Sun YanQiong, Chen YiPing: Synthesis, structure and research on quasi-aromaticity of a new organically templated aluminoborate: [NH0.5C4H4NH0.5][AlB12O14(OH)12]. J Mole Struct 2012, 1010, 67. <http://dx.doi.org/10.1016/j.molstruc.2011.11.030>
  • Andjelković Ljubica, Perić Marko, Zlatar Matija, Grubišić Sonja, Gruden-Pavlović Maja: Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn–Teller effect influence the aromaticity?. Tetrahedron Letters 2012, 53, 794. <http://dx.doi.org/10.1016/j.tetlet.2011.12.008>
  • Tan Zhong Fei, Liu Chun Y., Li Ziyun, Meng Miao, Weng Ng Seik: Abnormally Long-Range Diamagnetic Anisotropy Induced by Cyclic dδ–pπ π Conjugation within a Six-Membered Dimolybdenum/Chalcogen Ring. Inrog Chem 2012, 51, 2212. <http://dx.doi.org/10.1021/ic2021947>
  • Steyrleuthner Robert, Schubert Marcel, Howard Ian, Klaumünzer Bastian, Schilling Kristian, Chen Zhihua, Saalfrank Peter, Laquai Frédéric, Facchetti Antonio, Neher Dieter: Aggregation in a High-Mobility n-Type Low-Bandgap Copolymer with Implications on Semicrystalline Morphology. J. Am. Chem. Soc. 2012, 134, 18303. <http://dx.doi.org/10.1021/ja306844f>
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  • Muñoz-Castro Alvaro: Magnetic Response Properties of Coinage Metal Macrocyles. Insights into the Induced Magnetic Field through the Analysis of [Cu5(Mes)5], [Ag4(Mes)4], and [Au5(Mes)5] (Mes = 2,4,6-Me3C6H2). J. Phys. Chem. C 2012, 116, 17197. <http://dx.doi.org/10.1021/jp3012443>
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  • Wang Shu-Jian, Li Ying, Wu Di, Wang Yin-Feng, Li Zhi-Ru: Quantum Mechanical Design and Structures of Hexanuclear Sandwich Complex and Its Multidecker Sandwich Clusters (Li6)n([18]Annulene)n+1 (n = 1–3). J. Phys. Chem. A 2012, 116, 9189. <http://dx.doi.org/10.1021/jp306749a>
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  • Aradilla David, Casanovas Jordi, Estrany Francesc, Iribarren José I., Alemán Carlos: New insights into the characterization of poly(3-chlorothiophene) for electrochromic devices. Polym Chem 2012, 3, 436. <http://dx.doi.org/10.1039/c1py00504a>
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  • FEREYDUNI EHSAN, KAMAEE MAHDI, SOLEYMANI REZA, AHMADI ROYA: THE SUBSTITUTION EFFECT ON THE AROMATICITY OF SOME N-PHENYLACETAMIDE DERIVATIVES: A DFT STUDY. J. Theor. Comput. Chem. 2012, 11, 1331. <http://dx.doi.org/10.1142/S0219633612500903>
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  • Fang Wenjuan, He Qiao, Tan Zhong Fei, Liu Chun Y., Lu Xin, Murillo Carlos A.: Experimental and Theoretical Evidence of Aromatic Behavior in Heterobenzene-Like Molecules with Metal-Metal Multiple Bonds. Chemistry A European Journal 2011, 17, 10288. <http://dx.doi.org/10.1002/chem.201003693>
  • Foroutan-Nejad Cina, Shahbazian Shant, Feixas Ferran, Rashidi-Ranjbar Parviz, Solà Miquel: A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings. J Comput Chem 2011, 32, 2422. <http://dx.doi.org/10.1002/jcc.21824>
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  • Szatyłowicz Halina, Krygowski Tadeusz Marek, Jezierska-Mazzarello Aneta: Hydroxyl group as a substituent with varying electronic properties: Effect of strength of H-bonding on charge density changes in Ph–OH…F− complexes. J Mol Model 2011, 17, 125. <http://dx.doi.org/10.1007/s00894-010-0703-y>
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  • Naskar Sumita, Naskar Subhendu, Blake Alexander J., Tadesse Haregewine, Chattopadhyay Shyamal Kumar: Synthesis, X-Ray Crystal Structure and Spectroscopic Properties of 1,2,3,4-Tetrahydro-2-(thenyl)-3-(N-thenylidine)-4-oxoquinazoline. J Chem Crystallogr 2011, 41, 986. <http://dx.doi.org/10.1007/s10870-011-0030-x>
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  • Wan Liang, Qi Dongdong, Zhang Yuexing: The effect of β-saturated pyrrolic rings on the electronic structures and aromaticity of magnesium porphyrin derivatives: A density functional study. Mol Graph Model 2011, 30, 15. <http://dx.doi.org/10.1016/j.jmgm.2011.05.003>
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  • Zhu Jun, Bhandary Sumanta, Sanyal Biplab, Ottosson Henrik: Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons. J Phys Chem C 2011, 115, 10264. <http://dx.doi.org/10.1021/jp2016616>
  • Bean David E., Fowler Patrick W.: Effect on Ring Current of the Kekulé Vibration in Aromatic and Antiaromatic Rings. J Phys Chem A 2011, 115, 13649. <http://dx.doi.org/10.1021/jp2077424>
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