@article{KleinpeterHilfertKoch1999, author = {Kleinpeter, Erich and Hilfert, Liane and Koch, Andreas}, title = {NMR spectroscopic and ab-initio MO study of sterically hindered 2,3-disubstituted quinoxalines}, year = {1999}, language = {en} } @article{ReicheStarkeKleinpeteretal.1999, author = {Reiche, K. B. and Starke, Ines and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen and Pihlaja, Kalevi and Oksaman, P. and Ovcharenko, V. V.}, title = {Fragmentation of imine-type meta-bridged bis(benzo crown ether)s under electron impact}, year = {1999}, language = {en} } @article{DrexlerStarkeGrojahnetal.1999, author = {Drexler, Hans-Joachim and Starke, Ines and Grojahn, Manuela and Reinke, H. and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen}, title = {SbCl3, BiCl3 and Na+ Complexes of maleonitrile-dithiacrown ethers: synthesis, crystal structures and DEP-MS experiments}, year = {1999}, language = {en} } @article{GrotjahnKleinpeter1999, author = {Grotjahn, Manuela and Kleinpeter, Erich}, title = {Conformational behaviour of N-tosyl-substituted diaza-crown ethers}, year = {1999}, language = {en} } @article{SchollKochHenningetal.1999, author = {Scholl, S. and Koch, Andreas and Henning, Dietrich and Kempter, Gerhard and Kleinpeter, Erich}, title = {The influence of structure and lipophilicity of hydantoin derivatives on anticonvulsant activity}, year = {1999}, language = {en} } @article{GrotjahnJaegerDrexleretal.1999, author = {Grotjahn, Manuela and J{\"a}ger, Norbert and Drexler, Hans-Joachim and Holdt, Hans-J{\"u}rgen and Kleinpeter, Erich}, title = {Molecular modeling study of the PtCl2 complexes of unsaturated S2On+1- coronands: dynamic simulations and investigation of the ring interconversion}, year = {1999}, language = {en} } @article{ZucchiCorniaBoeseetal.1999, author = {Zucchi, Claudia and Cornia, Andrea and Boese, Roland and Kleinpeter, Erich and Alper, Howard and Palyi, Gyula}, title = {Preparation and molecular structures of benzyl- and phenyl-acetycobalt-carbonyls}, year = {1999}, language = {en} } @article{BenassiBregullaHenningetal.1999, author = {Benassi, Rois and Bregulla, Antje and Henning, Dietrich and Heydenreich, Matthias and Kempter, Gerhard and Kleinpeter, Erich and Taddei, F.}, title = {NMR-spectroscopic and theoretical structural analysis of 5-benzyl subtituted hydantoins in solutions}, year = {1999}, language = {en} } @article{DrexlerGrotjahnKleinpeteretal.1999, author = {Drexler, Hans-Joachim and Grotjahn, Manuela and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen}, title = {A novel polymeric disilver(I) complex containing both macrocyclic- and linear-coordinate silver(I) centres : [Ag-2(mn-15S(2)O(3))](infinity)(ClO4)(2 infinity) (mn-15S(2)O(3) = maleonitrile-dithia[15]crown-5)}, year = {1999}, language = {en} } @article{BenassiBertariniHilfertetal.2000, author = {Benassi, Rois and Bertarini, C. and Hilfert, Liane and Kempter, Gerhard and Kleinpeter, Erich and Spindler, J{\"u}rgen and Taddei, F. and Thomas, Steffen}, title = {Exocyclic push-pull conjugated compounds : Part 3}, year = {2000}, language = {en} } @article{Kleinpeter2000, author = {Kleinpeter, Erich}, title = {Recent advances in studying tautomerism in solution and in solid state}, year = {2000}, language = {en} } @article{StarkeHolzbergerKammetal.2000, author = {Starke, Ines and Holzberger, Anja and Kamm, Birgit and Kleinpeter, Erich}, title = {Qualitative and quantitative analysis of carbohydrates in green juices (wild mix grass and alfalfa) from a green biorefinery by gas chromatography/mass spectrometry}, year = {2000}, language = {en} } @article{KleinpeterHilfertKoch2000, author = {Kleinpeter, Erich and Hilfert, Liane and Koch, Andreas}, title = {GIAO-HF/DFT calculation of C-13 and N-15 chemical shifts for studying tautomerism and intramolecular hydrogen bonding in 2,3-disubstituted quinoxalines}, year = {2000}, language = {en} } @article{BenassiBertariniKleinpeteretal.2000, author = {Benassi, Rois and Bertarini, C. and Kleinpeter, Erich and Taddei, F. and Thomas, Steffen}, title = {Exocyclic push-pull conjugated compounds : Part 1 ; theoretical study of the effect of ring size on the structure, electronic properties and rotational barriers of cyclic analogoues of 1,1-diamino-2.2-dicyanoethylene}, year = {2000}, language = {en} } @article{BenassiBertariniKleinpeteretal.2000, author = {Benassi, Rois and Bertarini, C. and Kleinpeter, Erich and Taddei, F.}, title = {Exocyclic push-pull conjugated compounds, Part 2 : the effect of donor and acceptor substituents on the rotational barrier of push-pull ethylenes}, year = {2000}, language = {en} } @article{GrotjahnLehmannAurichetal.2001, author = {Grotjahn, Manuela and Lehmann, S. and Aurich, Ines and Holdt, Hans-Joachim and Kleinpeter, Erich}, title = {NMR spectroscopic and molecular modelling studies of the solution structure and complexational behaviour of some bis(benzocrown ether)s}, year = {2001}, abstract = {Structural information about the bis(benzo crown ether)s I-VI and their complexes with alkali metal cations was deduced from the 13C NMR chemical shifts, the salt-induced 1H and 13C chemical shifts and the vicinal 1H,1H coupling constants. Especially the isomerism with respect to the amide O=C - NH bonds and imine fragments were assigned by various useful NMR parameters ( C=O, 1JN,H, 1JC,H) and proved to be E,E-anti,anti. Furthermore, stereochemical information about preferred conformations about flexible bonds was obtained from 2D ROESY NMR experiments. The complex formation (2:1 complexes and sandwich-like 1:1 complexes, respectively) were determined also by 23Na NMR spectroscopy. The conformational study of the crown ethers was accompanied and corroborated by molecular dynamics and quantum chemical calculations.}, language = {en} } @article{HoldtDrexlerStarkeetal.2001, author = {Holdt, Hans-J{\"u}rgen and Drexler, Hans-Joachim and Starke, Ines and Grotjahn, Manuela and Kleinpeter, Erich}, title = {Homologous series of the PdCl2 and PtCl2 complexes of maleonitrile-dithiacrown ethers : synthesis, crystal structures, NMR spectroscopy and mass spectrometry}, year = {2001}, language = {en} } @article{KleinpeterGrotjahnKlinkaetal.2001, author = {Kleinpeter, Erich and Grotjahn, Manuela and Klinka, Karel D. and Drexler, Hans-Joachim and Holdt, Hans-J{\"u}rgen}, title = {Conformational and complexational study of some maleonitrile mixed oxadithia crown ethers by NMR spectroscopy and molecular modelling}, year = {2001}, abstract = {The macrocyclic ring interconversion of four maleonitrile mixed oxadithia crown ethers of variable ring size, mn-12-S2O2, mn-15-S2O3, mn-18-S2O4 and fn-12-S2O2, were studied by 1H and 13C NMR spectroscopy and by molecular modelling. The barriers to ring interconversion were estimated using variable temperature NMR spectroscopy and from the calculated activation energies, together with the spin-lattice relaxation times of the CH2 carbon atoms, conclusions were drawn regarding the intramolecular flexibility of the crown ethers in both the free state as well as the complexed state incorporating either AgI, BiIII, SbIII, PdII or PtII metal cations. Furthermore, both the stoichiometry of the complexes and the coordination sites of the crown ethers to the various cations were also clearly implicated. Molecular modelling was also utilised to ascertain the preferred conformers of the four compounds and their corresponding complexes, the results of which corroborated the experimental NMR results to a high degree.}, language = {en} } @article{BeitzKoetzWolfetal.2001, author = {Beitz, Toralf and Koetz, Joachim and Wolf, Gunter and Kleinpeter, Erich and Friberg, Stig E.}, title = {Poly(N-vinyl-2-pyrrolidone) and 1-octyl-2-pyrrolidinone modified ionic microemulsions}, year = {2001}, language = {en} } @article{GermerKlodPeteretal.2002, author = {Germer, Antje and Klod, Sabrina and Peter, Martin G. and Kleinpeter, Erich}, title = {NMR spectroscopic and theoretical study of the complexation of the inhibitor allosamidin in the binding pocket of the plant chitinase hevamine}, year = {2002}, abstract = {Based on NMR spectroscopic information about the allosamidin-hevamine complex, ab initio MO calcns. of the ring current effect of the arom. moieties of Trp255, Tyr183 and Tyr6 of hevamine were carried out to investigate the role of these amino acid residues in binding interactions with allosamidin in soln. In addn., the intermol. steric compression effect on the 13C chem. shifts of the allosamizoline carbon atoms and the hydrogen bonding to Glu127 was identified. It can be inferred that the binding forces are strongest in the allosamizoline moiety of allosamidin.}, language = {en} }