6533b7d6fe1ef96bd1266679

RESEARCH PRODUCT

B1(1)Π state of KCs: high-resolution spectroscopy and description of low-lying energy levels.

I. BirznieceO. NikolayevaRuvin FerberM. Tamanis

subject

PointwiseSpectrometerChemistryBuffer gasAnalytical chemistryGeneral Physics and AstronomyLaserPotential energySpectral linelaw.inventionAb initio quantum chemistry methodslawPhysical and Theoretical ChemistryAtomic physicsSpectroscopy

description

The diode laser induced B(1)(1)Π → X(1)Σ(+) fluorescence spectra of the KCs molecule were recorded by Fourier-transform spectrometer with resolution of 0.03 cm(-1). Buffer gas Ar was used to facilitate appearance of rotation relaxation lines in the spectra, thus enlarging the B(1)(1)Π dataset, allowing one to determine the Λ-splitting constants and to reveal numerous local perturbations. A dataset was systematically obtained for B(1)(1)Π vibrational levels ν(') ∈ [0; 5] nonuniformly covering rotational levels with J(') ∈ [7; 233]. For ν(') ∈ [0; 3], the less-perturbed data of f-components were included in the fit. A pointwise potential energy curve (PEC) based on the inverted perturbation approach, as well as the Dunham coefficients, was obtained and compared with ab initio calculations; in particular, the energy of the PEC's minimum T(e) = 14,044.918(6) cm(-1) was determined. Both approaches allowed us to reproduce the vast majority of data used in the fit with accuracy of 0.02 cm(-1). Tentative molecular constants for several vibrational levels of the near lying C(3)(1)Σ(+) state were estimated.

10.1063/1.3683218https://pubmed.ncbi.nlm.nih.gov/22360184