The theory and experiment of solute migration caused by excited state absorptions

Nonsymmetrical transition from reverse-saturable absorption （RSA） to saturable absorption （SA） caused by excited state absorption induced mass transport of the CuPcTs dissolved in dimethyl sulfoxide is observed in an open aperture Z-scan experiment with a 21-ps laser pulse. The nonsymmetrical transition from RSA to SA is ascribed neither to saturation of excited state absorption nor to thermal induced mass transport, the so-called Sorer effect. In our consideration, strong nonlinear absorption causes the rapid accumulation of the non-uniform kinetic energy of the solute molecules. The non-uniform kinetic field in turn causes the migration of the solute molecules. Additionally, an energy-gradient-induced mass transport theory is presented to interpret the experimental results, and the theoretical calculations are also taken to fit our experimental results.

Investigation of the Spin Crossover Complex [Fe(bapbpy)(NCS)_2 ] in Its Low-spin and Highspin State by DFT/TD-DFT/BS-DFT Calculations

The spin crossover（SCO） compound [Fe（bapbpy）（NCS）2],where bapbpy contains two fused N,N-bis（2-pyridyl）amines,has been studied by DFT/TD-DFT/BS-DFT methods.Several density functionals and basis sets were used in the calculation to obtain optimized geometries of the compound in the low-（LS） and high-spin（HS） states.The vibrational modes and IR spectra,spin splitting energies,excited states and UV/Vis absorption spectra were obtained.The structural parameters of the calculated isolated complex are in good agreement with the X-ray data.We investigate three dimers of [Fe（bapbpy）（NCS）2] complex for their magnetic properties.It has been found that the complex（1,3） has ferromagnetic character while the others are antiferromagnetic in nature by using a broken symmetry approach in the DFT framework（BS-DFT） with support from the coupling constant values（J） and spin density plots.

Upconversion Luminescence of SrTiO3：Er^3＋ Ultrafine Powders Produced by 785 nm Laser

Er^3＋ doped SrTiO3 ultrafine powders were prepared by solid state reaction in a molten NaCl flux. The structural properties were characterized by X-ray diffraction, field emission scanning electron microscopy, and Fourier transform infrared spectroscopy. The Stokes emission spectra of Er^3＋ in SrTiO3：Er^3＋ ranging from green to near infrared region were investigated under 514.5 nm laser excitation. The green and red upconverted luminescence spectra of Er^3＋ were measured under excitation into the 419/2 level by 785 nm laser. The upconversion mechanisms were studied in detail through laser power dependence and Er^3＋ ion concentration dependence of upconverted emissions, and results show that excited state absorption and energy transfer process are the possible mechanisms for the upconversion. The upconversion properties indicate that SrTiO3：Er^3＋ may be used in upconversion phosphors.

Upconversion of Er^(3+) Ions in LiKGdF_5:Er^(3+),Dy^(3+) Single Crystal Produced by Infrared and Green Laser

The upconversion fluorescence of Er^3＋ ions in LiKGdF5 ： Er^3＋, Dy^3＋ single crystal was studied under 785, 514.5, and 980 nm laser excitation. With the laser excitation set at 785 nm, strong green （centered at 543 nm） upconversion emissions, as well as weak red （651 nm）, violet （406 nm）, and blue （470 nm） upconversion emissions were obtained. With 514.5 nm laser excitation, violet （406 nm） and blue （470 nm） upconversion emissions were observed. Under 980 nm laser excitation, strong green （543 nm） and weak red （651） emissions were also obtained. The laser power dependence of the upconverted emissions was investigated to understand the upconversion mechanism. The excited state absorption （ESA） and the energy transfer （ET） processes were discussed as the possible mechanisms for all upconversion emissions.

Green, orange, and red upconversion luminescence in Nd^(3+)/Yb^(3+): Cs_2NaGdCl_6 powders under 785 nm laser excitation

Nd^3＋：Cs2NaGdCl6 and Nd^3＋, Yb^3＋：Cs2NaGdCl6 polycrystalline powder samples were prepared by Morss method E. Under 785 nm semiconductor laser pumping, the upconversion luminescence of Nd^3＋ ions in Cs2NaGdCl6 was investigated at room temperature, and three upconversion emissions near 538 nm （Green）, 603 nm （Orange）, and 675 nm （Red） were observed and assigned to ^4G7/2→^4I9/2, （^4G7/2→^4I11/2; ^4G5/2→^4I9/2）, and （^4G7/2→^4I13/2; ^4G5/2→^4I11/2 ）, respectively. The dependences of these upconverted emissions on laser power and Nd^3＋ ion concentration were investigated, to explore the upconversion mechanism. The effect of doping Yb^3＋ ions on the upconversion luminescence of Nd^3＋ in Cs2NaGdCl6 was also studied under 785 nm laser excitation. The energy transfer processes were discussed as the possible mechanism for the above upconversion emissions.