化学研究与应用
化學研究與應用
화학연구여응용
CHEMICAL RESEARCH AND APPLICATION
2001年
3期
239-243
,共5页
羰基叶立德%二氯卡宾%晶体结构
羰基葉立德%二氯卡賓%晶體結構
탄기협립덕%이록잡빈%정체결구
本文报道了二氯卡宾(由一溴二氯苯基甲基汞产生)与四苯基环戊二烯酮(TPCP)脱氧反应产物的晶体与分子结构，并就其结构特征讨论了反应机理和产物的关系。二氯卡宾与TPCP脱氧反应的产物为偕二氯环戊二烯(1，1-二氯四苯基环戊二烯)，属于正交晶系，空间点群为P212121，晶胞参数a=0.8583(2),b=1.1562(3),c=2.2565(5)nm，v=2.239(2)nm3,Mr=430.39,Dx=1.30g/cm3。最终偏差因子R=0.061，Rw=0.065。该化合物晶体结构的确定和晶体分析为羰基叶立德的反应机理提供了佐证。
本文報道瞭二氯卡賓(由一溴二氯苯基甲基汞產生)與四苯基環戊二烯酮(TPCP)脫氧反應產物的晶體與分子結構，併就其結構特徵討論瞭反應機理和產物的關繫。二氯卡賓與TPCP脫氧反應的產物為偕二氯環戊二烯(1，1-二氯四苯基環戊二烯)，屬于正交晶繫，空間點群為P212121，晶胞參數a=0.8583(2),b=1.1562(3),c=2.2565(5)nm，v=2.239(2)nm3,Mr=430.39,Dx=1.30g/cm3。最終偏差因子R=0.061，Rw=0.065。該化閤物晶體結構的確定和晶體分析為羰基葉立德的反應機理提供瞭佐證。
본문보도료이록잡빈(유일추이록분기갑기홍산생)여사분기배무이희동(TPCP)탈양반응산물적정체여분자결구，병취기결구특정토론료반응궤리화산물적관계。이록잡빈여TPCP탈양반응적산물위해이록배무이희(1，1-이록사분기배무이희)，속우정교정계，공간점군위P212121，정포삼수a=0.8583(2),b=1.1562(3),c=2.2565(5)nm，v=2.239(2)nm3,Mr=430.39,Dx=1.30g/cm3。최종편차인자R=0.061，Rw=0.065。해화합물정체결구적학정화정체분석위탄기협립덕적반응궤리제공료좌증。
The crystal structure of the deoxygenating reaction product 1,1-dichlorotetraphenylcyclopentadienone of phenyl (bromodichloromethyl) mercury with tetraphenylcyclopentadienone (TPCP) is reported.The crystal belongs to quadratic,space group P212121,with unit cell of a=0.8583(2),b=1.1562(3),c=2.2565(5)nm,V=2.239(2)nm3,Z=4,Mr=439.39,Dx=1.30g/cm3,μ=3.02cm-1,F(000)=912.The final deviation factor has coverage with R=0.061 and Rw=0.065 for 1332 observed independent reflections.These observed results support the previously proposed mechanism for the carbene reaction of this type in which the structural characteristics of the incipient carbonyl ylide intermediate is suggested to play a key role in choosing different competitive pathways.
