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-H(2)O-DEMS and (phenol)(2)-DEMS clusters, which exhibited much stronger interactions than the phenol-DEMS clusters.
Ishikawa
Haruki
H
Department of Chemistry, Graduate School of Science, Tohoku University, Aoba-ku, Sendai 980-8578, Japan. haruki@kobe-u.ac.jp
Saito
Akira
A
Sugiyama
Masuyuki
M
Mikami
Naohiko
N
D002627:Chemistry, Physical / Q000379:methods*; D004583:Electrons; D006859:Hydrogen / Q000737:chemistry*; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D019800:Phenol / Q000737:chemistry*; D011522:Protons; D012821:Silanes / Q000737:chemistry*; D012825:Silicon / Q000737:chemistry*; D013053:Spectrophotometry; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*; D013816:Thermodynamics
D011522:Protons; D012821:Silanes; D019800:Phenol; D006859:Hydrogen; D012825:Silicon