Correlation of13C- And15N-NMR chemical shifts of ylidic carbon and nitrogen with calculated partial charges in pyridinium dicyanomethylides

Heterocycles

Volumn 45, Issue 12, 1997, Pages 2443-2448

  Matsumoto, Kiyoshi ^a   Katsura, Hideki ^a   Uchida, Takane ^b   Aoyama, Kinuyo ^b   Machiguchi, Takahisa ^c  

^a KYOTO UNIVERSITY   (Japan)

^b UNIVERSITY OF FUKUI   (Japan)

^c SAITAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001381840     PISSN: 03855414     EISSN: None     Source Type: Journal    
DOI: 10.3987/COM-97-7950     Document Type: Article

References (17)

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3. K. Matsumoto, R. Ohta, T. Uchida, H. Nishioka, M. Yoshida, and A. Kakehi, J. Heterocycl. Chem, 1997, 34, 203.
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6. I. Zugravescu and M. Petrovanu, N-Ylide Chemistry, McGraw-Hill International, New York, 1976;
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11. K. Matsumoto, T. Uchida, Y. Ikemi, H. Fujita, K. Aoyama, and M. Asahi, Heterocycles, 1986, 24,339.
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13. K. Matsumoto, T. Uchida, K. Aoyama, T. Tanaka, and M. Asahi, Chem. Express, 1986, 1, , 423.
14. The partial charges on the carbon and nitrogen atoms of the substrates (1-11) were calculated using CAChe systems (Version 3.7, CAChe Scientific, Oxford Molecular Group). AM1: M. J. S. Dewar, E. G. Zoebisch, E. F. Hearly, and J. J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902;
15. PM3: J. J. P. Stewart, J. Comp. Chem., 1989, 10, 209;
16. INDO: J. Ridley and M. Zerner, Theoret. Chim. Acta, 1973, 32, 111.
17. W. J. Linn, O. W. Webster, and R. E. Benson, J. Am. Chem. Soc., 1965, 87, 3651.