How Space‐Filling Is a Pyridine Lone Pair?
How Space‐Filling Is a Pyridine Lone Pair?
复制标题
吡啶孤对电子如何填充空间？
DOI：
10.1002/ejoc.201101008
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发表时间：
2011
影响因子：
2.8
通讯作者：
M. Schlosser
中科院分区：
文献类型：
--
作者：
A. Mazzanti;L. Lunazzi;S. Lepri;R. Ruzziconi;M. Schlosser
对2-取代2-芳基吡啶的扭转势垒进行了实验(动态核磁共振)和计算(密度泛函理论)的研究。由于孤子对的可压缩性，芳基吡啶的扭转势垒比碳氢类似联苯的扭转势垒小4.2千卡/摩尔。此外，2-芳基吡啶的基态较少
The torsional barriers of 2-substituted 2-arylpyridines have been probed experimentally (by using dynamic NMR spectroscopy) and computationally (by using density functional theory). Due to the compressibility of the lone pair, the torsional barriers of the arylpyridines are up to 4.2 kcal/mol smaller than those of the carba-analogous biphenyls. Furthermore, the ground states of the 2-arylpyridines are less
影响因子：
15
作者：
Wheeler, Steven E.;McNeil, Anne J.;Mueller, Peter;Swager, Timothy M.;Houk, K. N.
通讯作者：
Houk, K. N.