C-13 MAGNETIC-RESONANCE .24. PERHYDROANTHRACENES AND PERHYDROPHENANTHRENES
C-13 MAGNETIC-RESONANCE .24. PERHYDROANTHRACENES AND PERHYDROPHENANTHRENES
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DOI：
10.1021/ja00813a029
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发表时间：
1974-01-01
影响因子：
15
通讯作者：
GRANT, DM
中科院分区：
文献类型：
--
作者：
DALLING, DK;GRANT, DM
质子解耦的碳-13磁共振（cmr）数据已经确定了所有五种可能的过氢蒽结构异构体和六种可能的过氢菲化合物中的四种。前者是已知的结构，但后者是未知的化学文献之前，本工作。数据最初被分配到特定的碳位置使用一个参数集衍生的甲基decalins。然后用最小二乘回归分析对计算得到的光谱进行细化。讨论了与船形和斜形戊烷构象有关的新化学位移参数。大约在世纪之交合成了第一个十四氢蒽（或过氢蒽，为方便起见简称为PHA）异构体。人们很快就认识到可能存在其他几何异构体，并提出了多达20种异构体。弗里斯和席林最终确定正确的数字是5，最后一个数字是近几年才合成出来的。许多工人对几种同分异构体的合成和表征作出了贡献。7·9-14 x射线和电子衍射16·17工作
The proton-decoupled, carbon-13 magnetic resonance(cmr) data have been determined for all of the five possible perhydroanthracene structural isomers and for four of the six possible perhydrophenanthrene com-pounds. The former are of known configuration, but the latter are unidentified in the chemical literature prior to the present work. The data are initially assigned to specific carbon positions using a parameter set derived from the methyldecalins. The calculated spectra are then refined by least-squares, regression analysis. New chemical shift parameters associated with boat and skew pentane conformations are discussed. he first tetradecahydroanthracene (or perhydro-anthracene, abbreviated for convenience to PHA) isomer was synthesized about the turn of the century. 2-4 It was soon recognized that othergeometric isomers were possible6 and as many as 20 were suggested. 6 Fries and Schilling ultimately delineated the correct number as being five, 7 the last of which was synthesized only in recent years. 8 Many workers contributed to the synthesis and characterization of the several iso-mers. 7· 9-14 X-Ray16 and electron diffraction16· 17 work