J Chem Phys. 2015 Sep 14;143(10):104303. doi: 10.1063/1.4929483.
The Journal of chemical physics
Eric L Johnson, Michael D Morse
PMID: 26374031 DOI: 10.1063/1.4929483
The optical spectrum of diatomic OsSi has been investigated for the first time, with transitions observed in the range from 15 212 to 18 634 cm(-1) (657-536 nm). Two electronic band systems have been identified along with a number of unclassified bands. Nine bands have been investigated at rotational resolution, allowing the ground state to be identified as X(3)Σ0(+) (-), arising from the 1σ(2)1π(4)2σ(2)3σ(2)1δ(2) configuration. The ground X(3)Σ0(+) (-) state is characterized by re = 2.1207(27) Å and ΔG1/2″ = 516.315(4) cm(-1) for the most abundant isotopologue, (192)Os(28)Si (38.63%). The A1 excited electronic state, which is thought to be primarily (3)Π1 in character, is characterized by T0 = 15 727.7(7) cm(-1), ωe = 397.0(7) cm(-1), and re = 2.236(16) Å for (192)Os(28)Si. The B1 excited electronic state is characterized by T0 = 18 468.71 cm(-1), ΔG1/2 = 324.1 cm(-1), and re = 2.1987(20) Å for (192)Os(28)Si and is thought to be primarily (1)Π1 in character. These results are placed in context through a comparison to other transition metal carbides and silicides.
