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Ultraviolet and Infrared Spectra of Diboron in Solid Neon at 4 K.

Jen-Iu LoSheng-Lung ChouHsiao-Chi LuYu-Chain PengMeng-Yeh LinBing-Ming ChengJ F Ogilvie
Published in: Chemphyschem : a European journal of chemical physics and physical chemistry (2016)
Apart from products H, B, BH, BH2 and BH3 identified from their emission spectra in the UV/Vis region, photolysis of diborane(6) dispersed in solid neon at 4 K with far-ultraviolet light from a synchrotron led to observation of absorption line (0,0) of the electronic transition A 3 Σu- ←X 3 Σg- of B2 at 326.39 nm. Absorption lines (1,0) of 11 B2 , 11 B10 B and 10 B2 were recorded at 316.63, 316.40 and 316.15 nm, respectively. ΔG1/2 of state A 3 Σu- for 11 B2 , 11 B10 B and 10 B2 in solid neon are accordingly derived to be 945, 968 and 993 cm-1 , respectively. Weak lines (0,1) of 11 B2 at 29586 cm-1 and of 11 B10 B at 29560 cm-1 , corresponding to 1042±30 and 1068±30 cm-1 for vibrational modes in the electronic ground state, were recorded in emission. An absorption line recorded at 1066.5±0.5 cm-1 in infrared spectra after photolysis of either B2 H6 in Ne or B2 D6 with D2 in Ne is thus attributed to 11 B10 B.
Keyphrases
  • density functional theory
  • light emitting
  • photodynamic therapy
  • molecular dynamics simulations
  • solid state
  • aqueous solution