High impact information on Silyl radical

• Neutral and especially dianionic 6- and 12-vertex closo ortho-carboranes (o-carboranes) 1,2-R2-1,2-C2BnHn (R = H, CH3, NH2, OH, F, SiH3, PH2, SH, Cl, as well as e-, CH2-, NH-, O-, SiH2-, PH-, and S- exhibit extremely large variations (over 1 A!) of the cage CC distances, from 1.626 to 2.638 A, at the B3LYP/6-31G//B3LYP/6-31G DFT level [1].
• Enthalpies of addition of hydride ion to eleven carbonyl acceptors (X-CHO), two conjugate addition sites (X-CH=CH2; X = CHO, NO2), eight carbenium ion acceptors, fulvene, borane, and SiH3(+) were calculated at the MP2/6-311+G level [2].
• At the B3LYP/DZP level of theory, energy barriers (DeltaE++) of 101.2, 98.8, 58.9, and 63.4 kJ/mol are calculated for the 1,2-, 1,3-, 1,4-, and 1,5-translocation reactions, respectively, of SiH3 between silicon atoms [3].
• Soft X-ray photoelectron spectroscopic data indicated that the H-Si(100) surfaces were terminated by SiH, SiH2, and SiH3 species, whereas Cl-Si(100) surfaces were predominantly terminated by monochloro (SiCl and SiHCl) and dichloro (SiCl2 and SiHCl2) Si species [4].
• The molecular structures of a family of eight aminodifluorophosphines, (PF2)NRR'(R, R' = H, CH3, SiH3, GeH3, PF2), have been redetermined using gas-phase electron diffraction data and high-level ab initio molecular-orbital calculations [5].

Analytical, diagnostic and therapeutic context of Silyl radical

• Scanning tunneling microscopy (STM) of these SiNWs, performed both in air and in ultrahigh vacuum, revealed atomically resolved images that can be interpreted as hydrogen-terminated Si (111)-(1 x 1) and Si (001)-(1 x 1) surfaces corresponding to SiH3 on Si (111) and SiH2 on Si (001), respectively [6].

References