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Theoretical Studies on Phentl Group Migration of Protonated 1,2-Diphenyl Hydrazines
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  • Theoretical Studies on Phentl Group Migration of Protonated 1,2-Diphenyl Hydrazines
  • Theoretical Studies on Phentl Group Migration of Protonated 1,2-Diphenyl Hydrazines
저자명
김찬경,이인영,김장근,이익춘,Kim. Chan Gyeong,Lee. In Yeong,Kim. Jang Geun,Lee. Ik Chun
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2000년|21권 5호|pp.477-482 (6 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Phenyl group migration within protonated 1,2-diphenyl hydrazines has been studied theoretically using the semi-empirical AM1 method. This reaction proceeds through a 3-membered cyclic transition state and requires high activation energy. In the reactant, there was no resonance stabilization for the moving Z-ring, however, hammett $p_Z^+$ values are large due to the direct involvement of the Z-ring inthe reaction, and the development of a negative charge on the reaction center gives them a posifive value. In the case of the non-moving ring, $p_Y^+$ values are small and negative owing to the smaller positive charge increase in the reaction center. The cross-interaction constant, $p_YZ^+$, was obtained from the activation enthalpies, using the multipe linear regression methdo, and the interaction between two substituents, Y and Z, is examined.