CrossRef enabled

PAC Archives

Archive →

Pure Appl. Chem., 1995, Vol. 67, No. 5, pp. 755-760

http://dx.doi.org/10.1351/pac199567050755

Exact structures of carbocations established by combined computational and experimental methods

P. Rague von Schleyer and Christoph Maerker

CrossRef Cited-by theme picture

CrossRef Cited-by Linking

  • Zhou Qinghai, Li Yuxue: 1,3-Cationic Alkylidene Migration of Nonclassical Carbocation: A Density Functional Theory Study on Gold(I)-Catalyzed Cycloisomerization of 1,5-Enynes Containing Cyclopropene Moiety. J. Am. Chem. Soc. 2014, 136, 1505. <http://dx.doi.org/10.1021/ja410734e>
  • Andrews Keith G., Spivey Alan C.: Improving the Accuracy of Computed 13C NMR Shift Predictions by Specific Environment Error Correction: Fragment Referencing. J. Org. Chem. 2013, 78, 11302. <http://dx.doi.org/10.1021/jo401833b>
  • Struble M. D., Scerba M. T., Siegler M., Lectka T.: Evidence for a Symmetrical Fluoronium Ion in Solution. Science 2013, 340, 57. <http://dx.doi.org/10.1126/science.1231247>
  • Lodewyk Michael W., Siebert Matthew R., Tantillo Dean J.: Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry. Chemistry Review 2012, 112, 1839. <http://dx.doi.org/10.1021/cr200106v>
  • Alvaro Galué Héctor, Oomens Jos: Spectroscopic Evidence for a Triplet Ground State in the Naphthyl Cation. angew chemie 2011, 123, 7142. <http://dx.doi.org/10.1002/ange.201102333>
  • Alvaro Galué Héctor, Oomens Jos: Spectroscopic Evidence for a Triplet Ground State in the Naphthyl Cation. Angewandte Chemie-Int Ed 2011, 50, 7004. <http://dx.doi.org/10.1002/anie.201102333>
  • Schäfer Annemarie, Schäfer André, Müller Thomas: Silaimidazolium and silaimidazolidinium ions. Dalton Trans 2010, 39, 9296. <http://dx.doi.org/10.1039/c0dt00313a>
  • Vrcek Valerije: DFT study of rearrangements in cyclopentylheptenyl carbocations. Int J Quantum Chem 2007, 107, 1772. <http://dx.doi.org/10.1002/qua.21258>
  • Schuster Peter: “Less is more” and the art of modeling complex phenomena: Simplification may but need not be the key to handle large networks. Complexity 2005, 11, 11. <http://dx.doi.org/10.1002/cplx.20107>
  • Nukada Tomoo, Bérces Attila, Wang LiJie, Zgierski Marek Z., Whitfield Dennis M.: The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions. Carbohydrates Research 2005, 340, 841. <http://dx.doi.org/10.1016/j.carres.2004.12.021>
  • Fuchs Jean-Fran��ois, Mareda Jiri: Ab initio and DFT gas phase investigations of the C7H11+ potential energy surfaces of bicyclobutonium species and related carbocations. Journal of Molecular Structure: THEOCHEM 2005, 718, 93. <http://dx.doi.org/10.1016/j.theochem.2004.12.028>
  • Ramsden Christopher A.: The influence of electronegativity on triangular three-centre two-electron bonds: the relative stability of carbonium ions, π-complex chemistry and the −2hβ effect. Tetrahedron 2004, 60, 3293. <http://dx.doi.org/10.1016/j.tet.2004.01.090>
  • Alkorta Ibon, Abboud José Luis M., Quintanilla Esther, Dávalos Juan Z.: A theoretical study of (old and new) non-classical carbocations derived from cyclic saturated hydrocarbons. J Phys Org Chem 2003, 16, 546. <http://dx.doi.org/10.1002/poc.630>
  • Larsson Per-Erik, Salhi-Benachenhou Nessima, Lunell Sten: Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium Radical Cation:  A Theoretical Validation of a Bishomoaromatic Radical Cation Intermediate. Org Lett 2003, 5, 1329. <http://dx.doi.org/10.1021/ol034272t>
  • Smith William B: Ethylene glycol to acetaldehyde-dehydration or a concerted mechanism. Tetrahedron 2002, 58, 2091. <http://dx.doi.org/10.1016/S0040-4020(02)00103-5>
  • El-Bergmi Redouan, Dobado J. A., Portal Dolores, Molina Molina José: Stabilization in neutral bicyclic sulfoxide compounds. J Comput Chem 2000, 21, 322. <http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4<322::AID-JCC7>3.0.CO;2-F>
  • Smith William B.: Hydrogen as a migrating group in some pinacol ­rearrangements: a DFT study. J Phys Org Chem 1999, 12, 741. <http://dx.doi.org/10.1002/(SICI)1099-1395(199910)12:10<741::AID-POC187>3.0.CO;2-6>
  • Lee Jeehiun K., Houk Kendall N.: Selektivität bei der Cyclisierung von Kationen: unterschiedliche Strukturen protonierter Cyclopropane und die Kontrolle der Selektivität durch katalytische Antikörper. Angew Chem 1997, 109, 1039. <http://dx.doi.org/10.1002/ange.19971090927>
  • Herrmann Roland, Kirmse Wolfgang: Stereoselectivity of 7-Methyl-7-norborn(en)yl Cations. Liebigs Ann /Recueil 1997, 1997, 337. <http://dx.doi.org/10.1002/jlac.199719970211>