High-resolution OPO spectroscopy of Si2C3 at 5μm: Observation of hot band transitions associated with ν3

Carbon–sulfur chains: A high‐resolution infrared and quantum‐chemical study of C3S and SC7S

“…However, since vibrational modes are not necessarily frozen out under jet conditions (see e.g., Ref. , and references therein), hot bands originating from low‐energy (bending) vibrational modes are observed frequently . The full spectrum obtained in the present study showing the 2046 to 2065 cm −1 regime is shown in Figure .…”

“…Carbon–sulfur clusters were observed with an experimental setup similar to the one used in previous investigations of other clusters . Briefly, the spectrometer comprises of a laser‐ablation source (Nd:YAG laser frequency‐tripled to operate at a wavelength of 355 nm, a repetition rate of 20 Hz, and a pulse energy of about 20 mJ) for cluster production, a widely tunable quantum cascade laser (QCL, Daylight Solutions) as a monochromatic radiation source and a Herriott‐type multireflection cell aligned such to allow for 48 passes of the QCL beam.…”

Fourier transform infrared identification of the ν5(σ u) fundamental of SiC5Si

“…More recently, the (ν 3 + ν 7 ) − ν 7 hot band of SiC 3 Si has been observed in the gas phase. 12 The observation of the next molecule in the series SiC 4 Si was reported by this lab in an FTIR study in solid Ar. The linear 3 g − ground state geometry predicted by earlier MBPT(2) calculations using a triple zeta basis with polarization (TZP), 13 was confirmed.…”

“…Bands in the observed spectrum belonging to 12,13 C n and Si n C m species are marked by green and blue squares, respectively. They were eliminated as potential shifts for ν 4 (σ u ) by comparing spectra resulting from the ablation of rods made from Si/ 12 C, 12 C/ 13 C and Si/ 12 C/ 13 C mixtures with 10 and 20% 13 C enrichment levels. Of the remaining bands those denoted with red dots grew in intensity with the higher 20% 13 C enrichment, and are thus potential shift bands for the ν 4 candidate at 2021.3 cm −1 .…”

Statistical method of generating envelopes of the electronic hot bands

“…Recently, high‐precision experimental techniques have been applied to observe the hot bands for different molecules . Theoretically, single lines in hot bands may be analyzed using advanced quantum chemical calculations such as coupled‐clusters theory …”