Revisiting 12C16O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"><mml:msup><mml:mrow/><mml:mo>+</mml:mo></mml:msup></mml:math>first negative system: An experimental and theoretical study

Ventura, Laiz R.; Silva, Ramon S. da; Ballester, Maikel Y.; Fellows, C. E.

doi:10.1016/j.jqsrt.2020.107312

Cited by 9 publications

(7 citation statements)

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“…RKR points [14] RKR points [12] Fig. 1 Potential Energy Curves for CO + molecular cation in X 2 Σ + , A 2 Π and B 2 Σ + electronic states.…”

Section: Resultsmentioning

confidence: 99%

“…The RKR data used in the comparison for the electronic states X 2 Σ + and B 2 Σ + were obtained from Ref. [12] and for the A 2 Π state from Ref. [14].…”

Section: Resultsmentioning

confidence: 99%

“…Several experimental and theoretical studies have been carried out in recent decades leading to the more accurate calculation of the Franck-Condon factors, Einstein coefficients, rotationless radiative lifetimes for various vibrational levels, and an improvement in the analysis of vibrational spectra related to the electronic transitions, among other important information provided by this cation. [8][9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

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Analytical potential energy functions for CO+ in its ground and excited electronic states

Araújo,

Ballester,

Lugão

et al. 2024

Preprint

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Accurate functions to analytically represent the potential energy interactions of CO+ diatomic system in X 2∑+, A2∏ and B 2∑+electronic states are proposed. The new functions depend upon only four parameters directly obtained from experimental data, without any fitting procedure. These functions have been developed from the modified generalized potential proposed by Araújo and Ballester [Phys. Scr. 96, 125407 (2021)]. The function for the X 2∑+ electronic state represents a significant improvement to the previously proposed model. To quantify the accuracy of the potential energy functions, the least-squares Z-test method, proposed by Murrell and Sorbie, is used. Furthermore, the main spectroscopic constants and vibrational energy levels are calculated and compared for all potentials. The present results agree excellently with the experiment Rydberg-Klein-Rees (RKR) potentials.

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“…RKR points [14] RKR points [12] Fig. 1 Potential Energy Curves for CO + molecular cation in X 2 Σ + , A 2 Π and B 2 Σ + electronic states.…”

Section: Resultsmentioning

confidence: 99%

“…The RKR data used in the comparison for the electronic states X 2 Σ + and B 2 Σ + were obtained from Ref. [12] and for the A 2 Π state from Ref. [14].…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Analytical potential energy functions for CO+ in its ground and excited electronic states

Araújo,

Ballester,

Lugão

et al. 2024

Preprint

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Section: Introductionmentioning

confidence: 99%

“…The analytic representation of potential energy functions for diatomic systems is a fundamental problem in chemical and molecular physics [1][2][3][4][5][6][7][8][9][10]. Diatomic potential energy functions are very useful in the predictions and rationalization of spectroscopic observations [3][4][5][11][12][13]. Such functions can also be used as building blocks in potential energy functions for small poly-atomic systems [14,15] and to calculate thermochemistry data [16].…”

Section: Introductionmentioning

confidence: 99%

New generalized potential energy function for diatomic systems

Araújo¹,

Ballester²

2021

Phys. Scr.

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A new and flexible function to represent the potential energy interactions of diatomic systems for the whole domain of internuclear separations is proposed. This function is a member of a family of functions containing a product of an exponential and a polynomial. A method for generating the parameters of the new potential as a function of Dunham's parameters is described, without any fitting procedure. Coefficients for 22 selected diatomic systems with elements from the first to the sixth rows, including some ground and excited electronic states, are presented. To quantify the accuracy of the so constructed potential energy functions, the least-squares Z-test method, proposed by Murrell and Sorbie, is used. Furthermore, main spectroscopic parameters are calculated and compared with available data. RECEIVED

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