@article{KleinpeterLaemmermannKuehn2011,
  author    = {Kleinpeter, Erich and L{\"a}mmermann, Anica and K{\"u}hn, Heiner},
  title     = {The anisotropic effect of functional groups in H-1 NMR spectra is the molecular response property of spatial nucleus independent chemical shifts (NICS)-Conformational equilibria of exo/endo tetrahydrodicyclopentadiene derivatives},
  year      = {2011},
  abstract  = {The inversion of the flexible five-membered ring in tetrahydrodicyclopentadiene (TH-DCPD) derivatives remains fast on the NMR timescale even at 103 K. Since the intramolecular exchange process could not be sufficiently slowed for spectroscopic evaluation, the conformational equilibrium is thus inaccessible by dynamic NMR. Fortunately, the spatial magnetic properties of the aryl and carbonyl groups attached to the DCPD skeleton can be employed in order to evaluate the conformational state of the system. In this context, the anisotropic effects of the functional groups in the H-1 NMR spectra prove to be the molecular response property of spatial nucleus independent chemical shifts (NICS).},
  language  = {en}
}
@article{KleinpeterNeuvonenNeuvonenetal.2011,
  author    = {Kleinpeter, Erich and Neuvonen, Kari and Neuvonen, Helmi and Koch, Andreas},
  title     = {NBO analysis of polar and steric effect using the axial-equatorial equilibrium of cyclohexyl acetates as a probe},
  issn      = {2210-271X},
  year      = {2011},
  language  = {en}
}
@article{StojanovicMarkovicKleinpeteretal.2011,
  author    = {Stojanovic, Milovan and Markovic, Rade and Kleinpeter, Erich and Baranac-Stojanovic, Marija},
  title     = {endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines},
  issn      = {0040-4020},
  year      = {2011},
  language  = {en}
}
@article{KleinpeterMarsatHeydenreichetal.2011,
  author    = {Kleinpeter, Erich and Marsat, Jean-No{\"e}l and Heydenreich, Matthias and von Berlepsch, Hans and Laschewsky, Andr{\´e}},
  title     = {Self-Assembly into Multicompartment Micelles and Selective Solubilization by Hydrophilic-Lipophilic- Fluorophilic Block Copolymers},
  issn      = {0024-9297},
  year      = {2011},
  language  = {en}
}
@article{KleinpeterKirpichenkoUshakovetal.2011,
  author    = {Kleinpeter, Erich and Kirpichenko, Svetlana V. and Ushakov, Igor A. and Shainyan, Bagrat A.},
  title     = {Conformational analysis of 3-methyl-3-silathiane and 3-fluoro-3-methyl-3-silathiane},
  issn      = {0894-3230},
  year      = {2011},
  abstract  = {The conformational equilibria of 3-methyl-3-silathiane 5, 3-fluoro-3-methyl-3-silathiane 6 and 1-fluoro-1- methyl-1-silacyclohexane 7 have been studied using low temperature 13C NMR spectroscopy and theoretical calculations. The conformer ratio at 103;K was measured to be about 5ax:5eq;=;15:85, 6ax:6eq;=;50:50 and 7ax:7eq;=;25:75. The equatorial preference of the methyl group in 5 (0.35;kcal;mol;1) is much less than in 3-methylthiane 9 (1.40;kcal;mol;1) but somewhat greater than in 1-methyl-1- silacyclohexane 1 (0.23;kcal;mol;1). Compounds 5-7 have low barriers to ring inversion: 5.65 (ax;;;eq) and 6.0 (eq;;;ax) kcal mol;1 (5), 4.6 (6), 5.1 (Meax;;;Meeq) and 5.4 (Meeq;;;Meax) kcal;mol;1 (7). Steric effects cannot explain the observed conformational preferences, like equal population of the two conformers of 6, or different conformer ratio for 5 and 7. Actually, by employing the NBO analysis, in particular, considering the second order perturbation energies, vicinal stereoelectronic interactions between the Si-X and adjacent C-H, C-S, and C-C bonds proved responsible.},
  language  = {en}
}
@article{KleinpeterKoch2011,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {The anisotropic effect of functional groups in 1H NMR spectra is the molecular response property of spatial NICS-the frozen conformational equilibria of 9-arylfluorenes},
  issn      = {0040-4020},
  year      = {2011},
  abstract  = {Rotation about the single bond adjoining the aryl and fluorene moieties in 9-arylfluorenes can be frozen out on the NMR timescale if methyl groups are located at either one or both of the ortho positions of the aryl substituent. In the ground-state of these rotamers, the planes of the aryl and fluorene moieties are perpendicular to each other and the methyl protons are either shielded or deshielded, respectively, due to the ringe current effect of the fluorene moiety. This anisotropic effect on the 1H chemical shifts of the methyl protons has been quantified on the basis of through- space NMR shieldings (TSNMRS) and subsequently _______ compared with the experimentally observed chemical shift differences _____. In this context, the experimental anisotropic effects of functional groups in the !H NMR have proven to quantitatively be the molecular response property of theoretical spatial nucleus independent chemical shieldings (NICS). Differences between _______ and _____ were, for the first time, also quantified as arising from steric compression.},
  language  = {en}
}
@article{KleinpeterLammermannKuehn2011,
  author    = {Kleinpeter, Erich and Lammermann, Anica and K{\"u}hn, Heiner},
  title     = {Synthesis and NMR spectra of the syn and anti isomers of substituted cyclobutanes-evidence for steric and spatial hyperconjugative interactions},
  issn      = {0040-4020},
  year      = {2011},
  abstract  = {The syn and anti isomers of cis,cis-tricyclo[5.3.0.0(2.6)]dec-3-ene derivatives have been synthesized and their (1)H and (13)C NMR spectra unequivocally analyzed. Both their structures and their (1)H and (13)C NMR chemical shifts were calculated by DFT, the latter two calculations employing the GIAO perturbation method. Additionally, calculated NMR shielding values were partitioned into Lewis and non-Lewis contributions from the bonds and lone pairs involved in the molecules by accompanying NBO and NCS analyses. The differences between the syn and anti isomers were evaluated with respect to steric and spatial hyperconjugation interactions.},
  language  = {en}
}
@article{KleinpeterShainyanSuslova2011,
  author    = {Kleinpeter, Erich and Shainyan, Bagrat A. and Suslova, Elena N.},
  title     = {Conformational analysis of 4,4-dimethyl-4-silathiane and its S-oxides},
  year      = {2011},
  language  = {en}
}
@article{KleinpeterPihlajaSinkkonenetal.2011,
  author    = {Kleinpeter, Erich and Pihlaja, Kalevi and Sinkkonen, Jari and St{\´a}jer, Gez{\´a} and Koch, Andreas},
  title     = {1-Oxo-1,3-dithiolanes{\`u}synthesis and stereochemistry},
  issn      = {0749-1581},
  year      = {2011},
  abstract  = {1-Oxo-1,3-dithiolane (4) and its cis- andtrans-2-methyl (5,6), -4-methyl (7,8) and -5-methyl (9,10) derivatives were prepared by oxidizing the corresponding 1,3-dithiolanes (1-3) with NaIO4 in water. The oxides were purified and their isomers separated using thin layer chromatography. The structural characterization was carried out with 1H and 13C NMR spectroscopy and molecular modelling. The sulfoxides 4-6 and 8-10 attain two S(1) type envelopes (sometimes slightly distorted) the S=Oax envelope greatly dominating. Cis-4-methyl-1-oxo-1,3-dithiolane is a special case exhibiting both two closely related S=Oax (30 and 27\%) as well as S=Oeq (21 and 22\%) forms [S(1) and C(4) envelopes, respectively]. The relative energies of these conformations, the values of 1H-1H coupling constants and 1H and 13C chemical shifts were estimated by computational methods and they support well the conclusions based on the experimental data.},
  language  = {en}
}
@article{KleinpeterShainyanSuslova2011,
  author    = {Kleinpeter, Erich and Shainyan, Bagrat A. and Suslova, Elena N.},
  title     = {Conformational analysis of N-phenyl- and N-trifyl-4,4-dimethyl-4-silathiane 1-sulfimides},
  issn      = {0894-3230},
  year      = {2011},
  language  = {en}
}