We report on the detection of the (10(0)1) ← (00(0)0) vibrational band of gas-phase C3 and the two of its mono (13)C substituted isotopologs in the infrared region around 3200 cm(-1). Additionally, the associated hot band (11(1)1) ← (01(1)0) has been assigned for the parent isotopolog. Spectra have been recorded using a supersonic jet spectrometer with a laser ablation source in combination with a continuous-wave optical parametric oscillator as radiation source. High-level quantum-chemical ab initio calculations have been performed and used to assist the assignment. A combined fit for the vibrational states of C3 found in this study has been done together with previously reported high-resolution data to increase the accuracy of the molecular parameters, especially for the ground state. The vibrational energies are 3260.126, 3205.593, and 3224.751 cm(-1) for the (10(0)1) state of C3, (12)C(13)C(12)C, and (13)C(12)C(12)C, respectively. The (11(1)1) state of C3 has been found to be at 3330.509 cm(-1).
The ν lowest bending mode of linear C and of all its C-substituted isotopologues was recorded using a terahertz-supersonic jet spectrometer in combination with a laser ablation source. Sixty-five ro-vibrational transitions between 1.8 and 1.9 THz have been assigned to linear C12C12C12, C12C12C13, C12C13C12, C13C13C12, C13C12C13, and C13C13C13. For each isotopologue, molecular parameters were obtained and the C-C-bond length was derived experimentally. All results are in excellent agreement with recent ab initio calculations [B. Schröder and P. Sebald, J. Chem. Phys. 144, 044307 (2016)]. The new measurements explain why the interstellar search for singly substituted C12C12C13 has failed so far. A spectral line list with recommended transition frequencies based on global data fits is given to foster future interstellar detections.
Guided by high-level quantum-chemical calculations at the CCSD(T) level of theory, the first polyatomic germanium-carbon cluster, linear Ge2C3, has been observed at high spectral resolution in the gas phase through its remarkably complex fundamental antisymmetric C-C stretching mode ν3 located at 1932 cm(-1). The observation of a total of six isotopic species permits the derivation of a highly accurate value for the equilibrium Ge-C bond length. The present study suggests that many more Ge-C species might be detectable in the future using a combination of laser-ablation techniques for production and high-resolution infrared and/or microwave techniques for spectroscopic detection.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.