@article{KleinpeterKoch2016,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Y-aromaticity - existing: yes or no? An answer given on the magnetic criterion (TSNMRS)},
  series = {Tetrahedron},
  volume    = {72},
  journal   = {Tetrahedron},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2016.02.020},
  pages     = {1675 -- 1685},
  year      = {2016},
  abstract  = {The spatial magnetic properties (Through Space NMR Shieldings - TSNMRS) of a number of Y-shaped structures possessing 4n+2 pi-electrons (i.a. the trimethylenemethane ions TMM2+, TMM2-, the guanidinium cation, substituted and hetero analogues) have been computed, visualized as Isochemical Shielding Surfaces (ICSS) of various size and direction, were examined subject to present Y-aromaticity and the results compared with energetic and geometric criteria obtained already. (C) 2016 Elsevier Ltd. All rights reserved.},
  language  = {en}
}
@article{KleinpeterKoch2015,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Characterization and quantification of quasi-aromaticity by spatial magnetic properties (TSNMRS)},
  series = {Tetrahedron},
  volume    = {71},
  journal   = {Tetrahedron},
  number    = {33},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2015.06.019},
  pages     = {5275 -- 5284},
  year      = {2015},
  abstract  = {The spatial magnetic properties (Through Space NMR Shieldings-TSNMRS) of various types of structures with suggested quasi-aromaticity (a summaring topic: in detail push pull, captodative, chelate, supramolecular aromaticity, etc.) have been computed, are visualized as Isochemical Shielding Surfaces (ICSS) of various size/direction and examined subject to identify and quantify present (partial) aromaticity. While the TSNMRS approach proves really helpful [even in cases of (4n+2) pi-electron cyclic moieties formed via non-covalent polar interactions] quasi-aromaticity suggested for enol forms of 1,3-dicarbonyl compounds via resonance-assisted intramolecular and intermolecular hydrogen bonding cannot be confirmed. (C) 2015 Elsevier Ltd. All rights reserved.},
  language  = {en}
}
@article{KleinpeterKoch2013,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {(Anti)aromaticity of dehydroannulenes of various ring size proved by the ring current effect in H-1 NMR spectra},
  series = {Tetrahedron},
  volume    = {69},
  journal   = {Tetrahedron},
  number    = {5},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2012.12.019},
  pages     = {1481 -- 1488},
  year      = {2013},
  abstract  = {The spatial magnetic properties (Through-Space NMR Shieldings-TSNMRS) of already synthesized dehydro[n]annulenes of various ring size (from C-12 to C-20) have been computed, visualized as Isochemical Shielding Surfaces (ICSS) of various size and direction, and were examined subject to present (anti)aromaticity. For this purpose the thus quantified ring current effect of the macro cycles on proximate protons in proton NMR spectra was employed.},
  language  = {en}
}
@article{KleinpeterWernerKoch2013,
  author    = {Kleinpeter, Erich and Werner, Peter and Koch, Andreas},
  title     = {Push-pull allenes-conjugation, (anti)aromaticity and quantification of the push-pull character},
  series = {Tetrahedron},
  volume    = {69},
  journal   = {Tetrahedron},
  number    = {11},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2013.01.027},
  pages     = {2436 -- 2445},
  year      = {2013},
  abstract  = {Structures, H-1/C-13 chemical shifts, and pi electron distribution/conjugation of an experimentally available and theoretically completed set of push-pull allenes Acc(2)C=C=CDon(2) (Acc=F, CHO, CF3, C N; Don=t-Bu, OMe, OEt, SMe, SEt, NCH2R) have been computed at the OFT level of theory. Both orthogonal linear and orthogonal bent structures have been obtained. In the latter case the push-pull character could be quantified by the quotient method. The C-13 chemical shift of the central allene carbon atom C-2 and chemical shift differences Delta delta(C-1, C-2) and Delta delta(C-2, C-3) of allene carbon atoms proved to be a quantitative alternative. TSNMRS of ring-closed push-pull allenes have been computed in addition and were employed to identify polar, carbene-like and carbone-like canonical structures of these molecules.},
  language  = {en}
}