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On the Synthesis of the Astronomically Elusive 1-Ethynyl-3-Silacyclopropenylidene (c-SiC4H2) Molecule in Circumstellar Envelopes of Carbon-rich Asymptotic Giant Branch Stars and Its Potential Role in the Formation of the Silicon Tetracarbide Chain (SiC4)

  • Authors: Zhenghai Yang, Srinivas Doddipatla, Ralf I. Kaiser, Anatoliy A. Nikolayev, Valeriy N. Azyazov, and Alexander M. Mebel

2021 The Astrophysical Journal Letters 908 L40.

  • Provider: AAS Journals

Caption: Figure 2.

Low-energy SiC4H2 isomers along with their point groups and ground-state electronic wave functions. Relative energies calculated at the CCSD(T)-F12/cc-pVQZ-f12//ωB97XD/6-311G(d,p) + ZPE(ωB97XD/6-311G(d,p)) level are given in kJmol−1.

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