The paper presents the Large Eddy Simulation (LES) of mass transfer and fluid flow evolution of a submerged rectangular free jet of air in the range of Reynolds numbers from Re = 3400 to Re = 22,000, with the Reynolds number, Re, defined with the hydraulic diameter of the rectangular slot, of height H. The numerical simulation is 3D for Re=3400 and 6800, while 2D for Re=10,400 and 22,000 to reduce computational time costs. The average and instant LES numerical simulations compare concentration visualizations, obtained with the Particle Image Velocimetry (PIV) technique, and fluid dynamics variables, velocity and turbulence, measured with the Hot Film Anemometry (HFA). In the numerical simulations, the Schmidt number is equal to 100 to compare the air concentration PIV experiments, while the turbulence on the exit of the slot is equal to the value measured experimentally, ranging between 1% and 2%. The average 2-3D LES simulations are in agreement with the concentration and fluid dynamics experimental results in the Undisturbed Region of Flow (URF) and in the Potential Core Region (PCR), while the vortex breakdown is captured only by the 3D approach. As far as the instant flow evolution is concerned, the 2-3D LES simulations reproduce the Negligible Disturbances Flow (NDF), where the jet height maintains constant, and the Small Disturbances Flow (SDF), where the jet height oscillates, with contractions and enlargements, but without the vortex formation. Average and instant velocity and turbulence numerical simulations on the centreline are in good agreement to the experimental measurements. Keywords: 2-3D Large Eddy Simulations; Transitional to turbulent flow; Numerical concentration fields and comparisons with PIV visualizations; Numerical fluid dynamics variables and comparison with HFA measurements; Confirmation of the URF in the average flow and NDF, SDF in the instant flow. Nomenclature Latin D diameter E turbulent energy spectrum