波谱学杂志2004，Vol.21Issue(1)：1-15,15.
钴超分子络合物中的氢键相互作用—59Co核磁共振研究及分子模拟
HYDROGEN BONDING INTERACTION IN COBALTIC SUPRAMOLECULAR COMPLEXES-STUDIED 59Co NMR AND MOLECULAR MODELLING
摘要
Abstract
The hydrogen bonding interactions in a series of cobaltic supramolec-ular complexes [12]aneN4 [Co(CN)6], [18]aneN6[Co(CN)6], [24]aneN8[Co(CN)6],[16]aneN4[Co(CN)6],[24]aneN6[Co(CN)6] and[32]aneN8[Co(CN)6]were studies and found to be closely related to the molecular conforma-tions in the aqueous solution. Such interactions caused the 59Co chemical shiftsto move towards upfield, and the quadrupolar interaction to change as well. Itwas observed in this study that stronger hydrogen bonding resulted in largerupfield shift of the 59Co chemical shifts and higher quadrupolar interaction inthe cobaltic supramolecular complexes. On the other hand, larger supramolec-ular sizes resulted in longer molecular rotational correlation time τc and shorter59Co longitudinal relaxation time (T1). In summary, 59Co NMR proves to bean ideal probe to investigate the second sphere or weak interaction in the cobal-tic supramolecular complexes in addition to the small molecules.关键词
59Co NMR/氢键相互作用/超分子络合物Key words
59 Co NMR, hydrogen bonding interaction, supramolecular complex分类
数理科学引用本文复制引用
周平,欧阳植勋..钴超分子络合物中的氢键相互作用—59Co核磁共振研究及分子模拟[J].波谱学杂志,2004,21(1):1-15,15.基金项目
The project was supported by NSFC (No. 20274009, 29974004). （No. 20274009, 29974004）
