Rotational Dependence of Franck–Condon Factors in the System of ²⁴Mg₂

Abstract

The rotational dependence of the Franck-Condon factors in the A-X system of Mg, has been calculated using R K R potential curves. Excellent agreement is found between theoretical and experimental intensity distributions.On a calcule I'influence de la rotation sur les facteurs de Franck-Condon, dans le systeme A-X de Mg,, en utilisant descourbes de potentiel RKR. L'accord entre les distributions d'intensite thtoriques et experimentales est excellent.

Femtosecond wavepacket interferometry using the rotational dynamics of a trapped cold molecular ion

“…[10], are listed in Table I; they are found to be in good agreement with the experimental values of Ref. [12].…”

Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found

“…It is intriguing why a seemingly docile main group diatomic continues to challenge stateof-the-art spectroscopic techniques. The experimental difficulties in detecting the elusive v″ > 13 states of the magnesium dimer originate from several factors, including small energy gaps between high-lying vibrations that are comparable to rotational spacings (12,25), resulting in overlapping spectral lines, and unfavorable signal-to-noise ratio in the existing LIF spectra (20). Rotational effects complicate the situation even more, since, in addition to affecting line intensities (20,22,25), they may render the high-lying vibrational states of Mg 2 unbound.…”

“…The experimental difficulties in detecting the elusive v″ > 13 states of the magnesium dimer originate from several factors, including small energy gaps between high-lying vibrations that are comparable to rotational spacings (12,25), resulting in overlapping spectral lines, and unfavorable signal-to-noise ratio in the existing LIF spectra (20). Rotational effects complicate the situation even more, since, in addition to affecting line intensities (20,22,25), they may render the high-lying vibrational states of Mg 2 unbound. All of these and similar difficulties prompted Knöckel et al (20,21) to conclude that experimental work alone is insufficient and that accurate theoretical calculations are needed to guide further analysis of the ground-state PEC and rovibrational states of Mg 2 , especially the elusive v″ > 13 levels near the dissociation threshold.…”

“…To make our comparisons with the experiment more complete, for each of the two electronic potentials considered in this study, we examine both the most abundant 24 Mg 2 species and the 24 Mg 25 Mg, Mg 26 Mg, 25 Mg 2 , 25 Mg 26 Mg, and 26 Mg 2 isotopologs (to our knowledge, rovibrational levels of the Mg 2 species other than 24 Mg 2 have not been calculated using ab initio potentials before). We combine the above information with the X 1 Σ g + − A 1 Σ u + electronic transition dipole moment function resulting from the same valence full CI computations as used in the PEC determination to accurately simulate the LIF spectra reported in (20,21), including line positions and the corresponding line intensities, as defined via the Einstein coefficients, and provide the long-awaited theoretical guidance for the possible experimental detection of the…”

Structures and electronic properties of neutral and anionic Ca (n= 2–22) clusters

“…Ca 2 cluster in rare gas matrix has also been studied [13,14]. All dimers of group-IIA elements, Be 2 -Ba 2 , have been identified in matrix isolation, and the band spectroscopic measurements have been performed on Mg 2 [15,16] and Ca 2 [5]. Weakly bound ground state molecules have been generated and preserved in the matrix environment, giving low-concentration gas-like spectra.…”