HYDROGEN BONDING INTERACTION IN COBALTIC SUPRAMOLECULAR COMPLEXES—STUDIED 59Co NMR AND MOLECULAR MODELLING

Abstract

Abstract:

The hydrogen bonding interactions in a series of cobaltic supramolecular complexes [12] aneN₄[Co(CN)₆], [18] aneN₆[Co(CN)₆], [24]aneN₈[Co(CN)₆], [16] aneN₄[Co(CN)₆], [24] aneN_6^[Co(CN)₆] and [32] aneN₈[Co(CN)_6^] were studies and found to be closely related to the molecular conformations in the aqueous solution. Such interactions caused the ⁵⁹Co chemical shifts to move towards upfield, and the quadrupolar interaction to change as well. It was observed in this study that stronger hydrogen bonding resulted in larger upfield shift of the ⁵⁹Co chemical shifts and higher quadrupolar interaction in the cobaltic supramolecular complexes. On the other hand, larger supramolecular sizes resulted in longer molecular rotational correlation time τ_cand shorter ⁵⁹Co longitudinal relaxation time (T₁). In summary, ⁵⁹Co NMR proves to be an ideal probe to investigate the second sphere or weak interaction in the cobaltic supramolecular complexes in addition to the small molecules.

Key words: ⁵⁹Co NMR, hydrogen bonding interaction, supramolecular complex

ZHOU Ping, AU-YANG S C F. HYDROGEN BONDING INTERACTION IN COBALTIC SUPRAMOLECULAR COMPLEXES—STUDIED ⁵⁹Co NMR AND MOLECULAR MODELLING[J]. Chinese Journal of Magnetic Resonance, 2004, 21(1): 1-15.

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HYDROGEN BONDING INTERACTION IN COBALTIC SUPRAMOLECULAR COMPLEXES—STUDIED ⁵⁹Co NMR AND MOLECULAR MODELLING

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