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The infrared (IR) spectrum of monobridged SiH (denoted as mbr-SiH) isolated in solid Ar was recorded, and a set of lines (in the major matrix site) observed at 858.3 cm, 971.5 cm, 999.2 cm, 1572.7 cm, 2017.7 cm, 2150.4 cm, and 2158.4 cm were characterized. The species was produced by the electron bombardment of an Ar matrix sample containing a small proportion of SiH during matrix deposition. Upon photolysis of the matrix samples using 365 nm and 160 nm light, the content of mbr-SiH increased. The band positions, relative intensity ratios, and D-isotopic shift ratios of the observed IR features are generally in good agreement with those predicted by the B3LYP/aug-cc-pVTZ method. In addition, the photochemistry of the observed products was discussed.
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http://dx.doi.org/10.1063/5.0010293 | DOI Listing |
J Chem Phys
May 2020
National Synchrotron Radiation Research Center, Hsinchu Science Park, 101 Hsin-Ann Road, Hsinchu 30076, Taiwan.
The infrared (IR) spectrum of monobridged SiH (denoted as mbr-SiH) isolated in solid Ar was recorded, and a set of lines (in the major matrix site) observed at 858.3 cm, 971.5 cm, 999.
View Article and Find Full Text PDFJ Chem Phys
February 2006
Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA.
The rotational spectrum of a new monobridged isomer of Si(2)H(4), denoted here as H(2)Si(H)SiH, has been detected by Fourier transform microwave spectroscopy of a supersonic molecular beam through the discharge products of silane. On the basis of high-level coupled cluster theory, this isomer is calculated to lie only 7 kcalmol above disilene (H(2)SiSiH(2)), the most stable isomeric arrangement of Si(2)H(4), and to be fairly polar, with a calculated dipole moment of mu = 1.14 D.
View Article and Find Full Text PDFJ Am Chem Soc
September 2003
Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602-2525, USA.
Highly correlated ab initio coupled-cluster theories (e.g., CCSD(T), CCSDT) were applied on the ground electronic states of Si(2)H(3) and Si(2)H(4), with substantive basis sets.
View Article and Find Full Text PDFBiopolymers
April 2002
Centro di Studio Interfacoltà sulla Spettroscopia Raman, Department of Biochemistry, University of Bologna, Via Belmeloro 8/2, 40126 Bologna, Italy.
Raman and IR studies are carried out on carnosine (beta-alanyl-L-histidine, Carnos) and its complexes with cobalt(II) at different metal/ligand ratios and basic pH. Binuclear complexes that bind molecular oxygen are formed and information regarding the O-O bridge is obtained from the Raman spectra. When the Co(II)/Carnos ratio is