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Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (10): 1650.

• Articles • Previous Articles     Next Articles

Intramolecular Hydrogen Bond Between Aromatic Hydrogen and Coordinated Sulfur Atom(sp2C-H…S)

SHI Ji-Cheng1, WEN Ting-Bin1, LI Wen-Jie1, WU Da-Xu1, ZHENG Yu1, LIU Qiu-Tian1, Kang Bei-Sheng2   

  1. 1. State Key Laboratory of Structural Chemistry and Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002;
    2. Institute of Physical Chemistry, Zhongshan University, Guang zhou, 510275
  • Received:1997-07-15 Online:1998-10-24 Published:1998-10-24

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Abstract: Weak interaction between the H16 atom of aromatic hydrocarbon and the coordinated S2 atom, a new type of hydrogen bond sp2 C—H…S, has been suggested in explaining the phenomenon of the 1H NMR H16 peak of the compound(Et4N)2 Pd 2(mp)2(Hmp)2 (H2mp=2-mercaptophenol) appearing at δ 8.79 which is 1.7 lower than the expected value δ 7.1. The distances of C16…S2(0.361 pm) and H16…S2(0.295 pm) lowing the sum of the van der Waals radii(0.325 pm) for the corresponding atoms, respectively, demonstrates the existence of the hydrogen bond. In addition, it has been observed that the C Hof aromatic hydrocarbon shifts to 2998 cm-1 resulting from the sp2 C H…Shydrogen interaction. Comparison with the structure of the analogues compound Pd2(PPh3)2(Hmp)2Cl2 and the remaining of the O—H…Oand C—H…Shydrogen bonds even in DMSOsuggest that the torsion angle between the phenyl linking to the bridging sulfur atom and Pd2S2 plane deviated from 90° may be contributed partially from the C H…Shydrogen bonding.

Key words: Intramolecular C—H…S hydrogen bond, Pd(Ⅱ) complex, 2-Mercaptophenol

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