Theoretical study of AlC<sub>3</sub><sup>+</sup>
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Resumen
Abstract A theoretical study of the AlC 3 + species has been carried out. Predictions have been made for some of the molecular properties (geometries, dipole moments, and harmonic vibrational frequencies) which could help in their possible experimental detection. In addition, a topological analysis of the electron density and its associated Laplacian has also been carried out. The global ground state is predicted to be a linear species with 1 Σ electronic state, but a rhombic four‐membered ring ( 1 A 1 ) lies close in energy. It seems that both isomers could be accessible to experimental detection. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Cómo citar
Pilar Redondo, & Antonio Largo, & Flor García, & Carmen Barrientos (2001). Theoretical study of AlC<sub>3</sub><sup>+</sup>. https://doi.org/10.1002/qua.1421