First observation of a dihydrogen bond involving the Si–H group in phenol-diethylmethylsilane clusters by infrared-ultraviolet double-resonance spectroscopy.

We have experimentally identified a dihydrogen bond involving the Si–H group in phenol-diethylmethylsilane (DEMS) clusters for the first time by IR-UV double-resonance spectroscopy. Vibrational shifts to lower frequency of 21–29 cm-1 were found for the OH stretching vibration of three isomers of the phenol-DEMS clusters. Spectral simulations based on the MP2 calculations also support our observation. In addition to these clusters, dihydrogen bonds were also observed in the phenol-H2O-DEMS and (phenol)2-DEMS clusters, which exhibited much stronger interactions than the phenol-DEMS clusters. [ABSTRACT FROM AUTHOR]