[1] E.A. Ilardi, C.E.Stivala, A. Zakarian, [3, 3]-Sigmatropic rearrangements: recent applications in the total synthesis of natural products. Chem. Soc. Rev. 38 (2009)3133-3148.
[2] A. Hoffmann‐Röder, N. Krause, Synthesis and properties of allenic natural products and pharmaceuticals. Angew. Chem. Int. Ed. Engl. 43 (2004)1196-1216.
[3] R.E. Bulo, A.W. Ehlers, S. Grimme, K. Lammertsma,Vinylphosphirane-phospholene rearrangements: Pericyclic [1, 3]-sigmatropic shifts or not?.J. Am. Chem. Soc. 124 (2002)13903-13910.
[4] Y.Yang, Regio‐and Stereospecific 1, 3‐Allyl Group Transfer Triggered by a Copper‐Catalyzed Borylation/ortho‐Cyanation Cascade.Angew. Chem. 128 (2016)353-357.
[5] P. Geerlings, P.W. Ayers, A. Toro-Labbé, P.K.Chattaraj, F. De Proft, The Woodward–Hoffmann rules reinterpreted by conceptual density functional theory. Acc. Chem. Res. 45 (2012)683-695.
[6] O.N. Faza, C.S. López, R.Álvarez, A.R. de Lera,Solvolytic ring-opening reactions of cyclopropyl bromides. An assessment of the Woodward-Hoffmann-Depuy rule.J. Org. Chem. 69 (2004)9002-9010.
[7] K.N. Houk, Frontier molecular orbital theory of cycloaddition reactions. Acc. Chem. Res. 8 (1975) 361-369.
[8] P.W. Ayers, C. Morell, F. De Proft, P. Geerlings, Understanding the Woodward–Hoffmann rules by using changes in electron density. Chem.Eur.J. 13 (2007)8240-8247.
[9] R. Herges, Topology in chemistry: designing Möbius molecules. Chem. Rev. 106 (2006)4820-4842.
[10] B. Miller,
Advanced Organic Chemistry. 2nd Ed. Upper Saddle River: Pearson Prentice Hall.
2004,
ISBN 0-13-065588-0.
[12] D.J. Field, D.W. Jones, G. Kneen, 1, 5-Shift of unsaturated groups. Chem. Commun. 21 (1976)873-874.
[13] a) A. Shokuhi Rad, Kh.Ayub, Adsorption of pyrrole on Al12N12, Al12P12, B12N12, and B12P12 fullerene-like nano-cages; a first principles study. Vacuum 131 (2016) 135-141; b) A.S. Siadati, M.S. Amini-Fazl, E. Babanezhad , The possibility of sensing and inactivating the hazardous air pollutant species via adsorption and their [2+ 3] cycloaddition reactions with C20 fullerene. Sens.Actuat. B-Chem 237 (2016) 591-596; c) S.A. Siadati, N. Nami, Investigation of the possibility of functionalization of C20 fullerene by benzene via Diels–Alder reaction. Physica E: Low-dimen Sys Nanostruc84 (2016) 55-59;
[14]S.A. Siadati, E. Vessally, A.Hosseinian, L. Edjlali, Possibility of sensing, adsorbing, and destructing the Tabun-2D-skeletal (Tabun nerve agent) by C20 fullerene and its boron and nitrogen doped derivatives. Synth.Met.220 (2016) 606–611.
[15]E. Vessally, S. A. Siadati, A. Hosseinian, L. Edjlali, Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C20fullerene and graphene segment, Talanta 162 (2017) 505-510.
[16] Y. Wu, W. Zhu, Organic sensitizers from D–π–A to D–A–π–A: effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances. Chem. Soc. Rev. 42 (2013)2039-2058.
[17] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J. M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V.Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J.Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D.Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul,B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L.Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C.Gonzalez, M. Challa- combe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 03 Inc., Pittsburgh, 2003.
[18] A.D. Becke, Completely numerical calculations on diatomic molecules in the local-density approximation, Phys. Rev. A 38 (1988) 3098-30100.
[19] C. Lee, W. Yang, R.G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B 371 (1988) 785-789.
[20] V. B. Delchev, M. V. Nenkova, Theoretical modeling of the ground state intramolecular proton transfer in cytosine: DFT level study, Acta. Chim.Slov.55 (2008) 132-137.
[21] C. Peng, P.Y. Ayala, H.B. Schlegel, M.J. Frisch, Open-shell systems and the total energies of the first-row atoms, J. Comput. Chem. 17 (1996) 49-56.
[22] C. Peng, H.B. Schlegel, Combining synchronous transit and quasi-newton methods to find transition states,Isr. J. Chem.33 (1996) 449-454.
[23] C. Gonzalez, H.B. Schlegel, An improved algorithm for reaction path following, J. Chem. Phys. 90 (1989) 2154-2162.
[24] C. Gonzalez, H.B. Schlegel, Reaction Path Following in Mass-Weighted Internal Coordinates, J. Physical Chem. 94 (1990) 5523-5527.
[25] A.E. Reed, L.A. Curtiss, F. Weinhold, Inter molecular Interactions from a Natural Bond Orbital, Donor- Acceptor Viewpoint, Chem. Rev.88 (1988) 899-926.
[26] J.E. Carpenter, F.J. Weinhold, Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure, J. Mol. Struct. (Theochem) 169 (1988) 41-62.
[27] L. Pauling, Atomic Radii and Interatomic Distances in Metals.J. Am. Chem. Soc. 69 (1947) 542-545.
[28] A. Moyano, M.A.Pericas, E.A. Valenti, theoretical study on the mechanism of the thermal and the acid-catalyzed decarboxylation of 2-oxetanones (.beta.-lactones). J. Org. Chem. 54 (1989) 573-582.
[29] B.Lecea, A.Arrieta, G.Roa, J.M.Ugalde, F.P. Cossıo, Catalytic and Solvent Effects on the Cycloaddition Reaction between Ketenes and Carbonyl Compounds To Form 2-Oxetanones. J. Am. Chem. Soc. 116 (1994) 9613-9619.
[30] M.J.S. Dewar, Multibond reactions cannot normally be synchronous. J. Am. Chem. Soc. 106 (1984) 209-219.
[31] W.T.Borden, R.J. Loncharich, K.N. Houk, Synchronicity in Multibond Reactions. Annu.ReV. Phys. Chem. 39 (1988) 213-236.
[32] a) R. Jasiński, In the searching for zwitterionic intermediates on reaction paths of [3+2] cycloaddition reactions between 2, 2, 4, 4-tetramethyl-3-thiocyclobutanone S-methylide and polymerizable olefins. RSC Adv. (2015) 101045-101048; b)R. Jasiński, A stepwise, zwitterionic mechanism for the 1, 3-dipolar cycloaddition between (Z)-C-4-methoxyphenyl-N-phenylnitrone and gem-chloronitroethenecatalysed by 1-butyl-3-methylimidazolium ionic liquid cations. Tetrahedron Lett. 56(2015) 532-535.
[33] L.R. Domingo, A New C-C Bond Formation Model Based on the Quantum Chemical Topology of Electron Density. RSC Adv.4 (2014) 32415-32428
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