Bulletin of the Korean Chemical Society

  • 제1권2호
  • /
  • Pages.57-62
  • /
  • 1980
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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MO Studies of Configurations and Conformations (IX). Molecular Structure of Sulfamoyl Chlorides

  • Ik-choon Lee (Department of Chemistry, Inha University) ;
  • Byung-Choon Lee (Department of Science Education, Choongbuk National University)
  • 발행 : 1980.06.30
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초록

Semi-empirical MO calculations were performed to investigate stereochemical properties of sulfamoyl chlorides; $R_2NSO_2Cl$ Where R = H or $CH_3$. It was found that for all the molecules considered the most preferred conformation was the form in which $n_N-{\sigma}^*_{SIC}$ conjugative interaction is a maximum and the least favored conformation was the form in which steric repulsion is large due to eclipsing of Cl and R. In case of the molecule with no symmetry i.e., $CH_2NHSO_2Cl$, the stability was also dependent upon nonbonded interactions between the eclipsing groups.

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참고문헌

  1. Acta Chem. Scand. v.A30 I. Hargittai;J. Brunvoll
  2. J. Mol. Struct. v.18 I. Hargittai;E. Vajda;A. Szoke
  3. J. Mol. Struct. v.15 I. Hargittai;M. Hargittai
  4. J. Amer. Chem. Soc. v.88 R. Hoffmann;R. A, Olofson
  5. Topics in current Chemistry v.70 Structural Theory of organic Chemistry N. D. Epiotis(et al.)
  6. J. Amer. Chem. Soc. v.ICC J. R. Larson;N. D. Epiotis;F. Bernardi
  7. J. Amer. Chem. Soc. v.101 A. Gavezzotti;L. S. Bartell
  8. J. Amer. Chem. Soc. v.99 N. D. Epiotis(et al.)
  9. J. Amer. Chem. Soc. v.95 N. D. Epiotis
  10. J. Mol. Struct. v.30 J. Brunvoll;I. Hargittai
  11. J. Mol. Struct. v.20 M. Hargittai;I. Hargittai
  12. Bull. Korean Chem. Soc. v.1 I. Lee
  13. C. R. Acad. Sc. Paris. v.278(D) J-F. Cavellier;R. Peradejordi
  14. Quantum Mechanics of Molecular Conformations B. Pullman(ed.)
  15. J. Amer. Chem. Soc. v.101 T. K. Brunck;F. Weinhold
  16. J. Amer. Chem. Soc. v.101 Y. Apeloig;Z. Rappoport