abs

학술발표회초록보기

초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

현재 가능한 작업은 아래와 같습니다.
  • 09월 05일 13시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Ring Flipping of Eight-membered and Seven-membered Dithienodisila-heterocycles— A Computational Study

등록일
2007년 8월 1일 13시 45분 45초
접수번호
0006
발표코드
34P179포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 <발표Ⅰ>
발표형식
포스터
발표분야
유기화학
저자 및
공동저자
이인숙, 곽영우
경북대학교 화학과,
Ground state structures and ring flipping transition states of 8- and 7-membered silicon containing heterocyclic compounds, respectively have theoretically been investigated. In the case of former, although the dithieno moiety of the derivatives does not change the ground state structures, they change the transition states as an increase in the ring flipping barrier by 15 ~ 19 kcal/mol has been observed for the 8-membered rings (2-4) in comparison with that of silicon containing compound 6, chosen as a model. In the case of latter, the effect of dithieno moiety on the ring flipping barrier of compound 5 is not as significant (3.6 kcal/mol) as that of the former when compared with silicon containing compound 7 as a model. Hence, it has been concluded that not only the existing ring strain of 8-membered ring but also the dithieno moieties collectively increases the ring flipping barrier so as to prevent such conformational changes explaining anomalous NMR behaviour. In contrast, the effect of substituents R1 and R2 at the olefinic carbons of the 8-membered ring on the flipping barrier turned out to be mild.

상단으로