Combined NMR spectroscopy and molecular mechanics studies on the relative stability of calixarenes カリックスアレーン類の相対的安定性に関するNMRスペクトル及び分子力場法による考察

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Author

    • 原田, 孝昭 ハラダ, タカアキ

Bibliographic Information

Title

Combined NMR spectroscopy and molecular mechanics studies on the relative stability of calixarenes

Other Title

カリックスアレーン類の相対的安定性に関するNMRスペクトル及び分子力場法による考察

Author

原田, 孝昭

Author(Another name)

ハラダ, タカアキ

University

九州大学

Types of degree

博士 (工学)

Grant ID

乙第6179号

Degree year

1996-03-19

Note and Description

博士論文

Table of Contents

  1. CONTENTS / p1 (0003.jp2)
  2. Chapter1 Introduction / p1 (0005.jp2)
  3. 1-1 Calixarenes / p2 (0006.jp2)
  4. 1-2 Theoretical Chemical Calculations / p13 (0017.jp2)
  5. Chapter2 Stable Structures of Calix[n]arenes / p16 (0020.jp2)
  6. 2-1 Computation of All Possible Structures for Calix[n]arenes / p17 (0021.jp2)
  7. 2-2 Comparison with the ¹H NMR Spectral and X-Ray Crystallographic Data / p28 (0032.jp2)
  8. 2-3 Conclusions / p35 (0039.jp2)
  9. 2-4 Experimental / p36 (0040.jp2)
  10. Chapter3 Relative Stability of Tetramethoxycalix[4]arenes / p37 (0041.jp2)
  11. 3-1 ¹H NMR Studies / p38 (0042.jp2)
  12. 3-2 Computational Studies / p44 (0048.jp2)
  13. 3-3 Conclusions / p53 (0057.jp2)
  14. 3-4 Experimental / p54 (0058.jp2)
  15. Chapter4 Influence of Substituents on the Relative Stability of Calix[4]arenes / p56 (0060.jp2)
  16. 4-1 Computational Technique / p57 (0061.jp2)
  17. 4-2 Results and Discussion / p58 (0062.jp2)
  18. 4-3 Results of MM3 Calculations / p62 (0066.jp2)
  19. 4-4 Note on the Results of AM1 and PM3 Calculations / p68 (0072.jp2)
  20. 4-5 Conclusions / p69 (0073.jp2)
  21. 4-6 Experimental / p69 (0073.jp2)
  22. 4-7 Supplementary Section / p70 (0074.jp2)
  23. Chapter5 Influence of OH Groups on the Relative Stability of Calix[4]arenes / p86 (0090.jp2)
  24. 5-1 Computational Technique / p87 (0091.jp2)
  25. 5-2 Results of MM3 Calculations / p88 (0092.jp2)
  26. 5-3 Results of NMR Spectroscopic Studies / p98 (0102.jp2)
  27. 5-4 Conclusions / p106 (0110.jp2)
  28. 5-5 Experimental / p106 (0110.jp2)
  29. 5-6 Supplementary Section / p108 (0112.jp2)
  30. Chapter6 Conclusions / p115 (0119.jp2)
  31. Acknowledgment / p118 (0122.jp2)
  32. References / p119 (0123.jp2)
  33. Appendix about Theoretical Background / p124 (0128.jp2)
  34. (A)MM3 Force Field / p125 (0129.jp2)
  35. (B)CONFLEX3.2 / p131 (0135.jp2)
  36. (C)DNMR5 / p134 (0138.jp2)
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Codes

  • NII Article ID (NAID)
    500000131671
  • NII Author ID (NRID)
    • 8000000966331
  • DOI(NDL)
  • NDLBibID
    • 000000295985
  • Source
    • NDL ONLINE
    • NDL Digital Collections

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