OVERCROWDED ENES OF THE TRICYCLOINDANE-1,3-DIONE SERIES - INTERPLAY OF TWISTING, FOLDING AND PYRAMIDALIZATION

被引：17
作者：
STEZOWSKI, JJ
BIEDERMANN, PU
HILDENBRAND, T
DORSCH, JA
ECKHARDT, CJ
AGRANAT, I
机构：
[1] UNIV STUTTGART,INST ORGAN CHEM & ISOTOPENFORSCH,W-7000 STUTTGART 80,GERMANY
[2] HEBREW UNIV JERUSALEM,DEPT ORGAN CHEM,IL-91904 JERUSALEM,ISRAEL
来源：
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1993年 / 03期
关键词：
D O I：
10.1039/c39930000213
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
MNDO-PM3 calculations have revealed three low energy conformations for the overcrowded ene 2-(thioxanthen-9-ylidene)indane-1,3-dione 2, two of which, a syn-pyramidalized C(s) conformer (yellow solvated crystals) and a C1 folded-twisted conformer (orange unsolvated crystals), were characterized by single crystal X-ray diffraction techniques, and a C2 twisted, non-pyramidalized conformer, which may be present in the thermochromic deep-red crystals obtainable by sublimation at T > 140-degrees-C.
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页码：213 / 215
页数：3
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