The hydrogen bonding of 1:1 complexes formed between formamide and methanol has been investigated using DFT and MP2 methods at varied basis set levels from 6-31g to 6-31++g(2d, 2p). Five reasonable geometries are considered with the global minimum being a cyclic double-hydrogen bonded structure. The
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Density functional theory studies on the inclusion complexes of cyclic decapeptide with 1-phenyl-1-propanol enantiomers
✍ Scribed by Hongge Zhao; Yanyan Zhu; Mingqiong Tong; Juan He; Chunmei Liu; Mingsheng Tang
- Publisher
- Springer-Verlag
- Year
- 2011
- Tongue
- English
- Weight
- 474 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1610-2940
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## Abstract The new ligand bdip (=2‐(1,3‐benzodioxol‐4‐yl)‐1__H__‐imidazo[4,5‐__f__][1,10]phenanthroline) and its Ru^II^ complexes [Ru(4,7‐dmp)~2~(bdip)]^2+^ (**1**; 4,7‐dmp=4,7‐dimethyl‐1,10‐phenanthroline) and [Ru(bpy)~2~(bdip)]^2+^ (**2**; bpy=2,2′‐bipyridine) were synthesized and characterized