Sidarai Ashok H, Desai Vani R, Hunagund Shirajahammad M, Basanagouda Mahantesha, Kadadevarmath Jagadish S
Department of Studies in Physics, Karnatak University, Dharwad, 580003, Karnataka, India.
P. G. Department of Studies in Chemistry, K. L. E. Society's P. C. Jabin Science College, Hubli, 580031, Karnataka, India.
J Fluoresc. 2017 Nov;27(6):2223-2229. doi: 10.1007/s10895-017-2163-6. Epub 2017 Aug 19.
Herein, we have studied the photophysical properties for three newly synthesized coumarin derivatives; 4-((2,6-dibromo-4-methylphenoxy)methyl)-2H-benzo[h]chromen-2-one (DMB), 4-((3,4-dihydro-6,7-dimethoxyisoquinolin-1-yl)methyl)-6-methyl-2H-chromen-2-one (DIM) and 4-((p-tolyloxy)methyl)-6-methoxy-2H-chromen-2-one (TMC). The absorption and emission spectra for above said molecules were recorded in different solvents at room temperature in order to calculate their ground and excited state dipole moments. The ground (μ ) and excited state dipole (μ ) moments of these coumarin derivatives were calculated using Lippert's, Bakshiev's and Kawski-Chamma-Viallet's equations by the solvatochromic shift method, which involves a variation of Stokes shift with the solvent dielectric constant and refractive index. Ground state dipole moments (μ ) were also calculated from the Guggenheim method using the dielectric constant and refractive index of the solute molecule. The value of ground state dipole moment obtained from these two methods is well correlated. Further, it is notified that the excited state dipole moment is larger than the ground state dipole moment for all three solute molecules. It inferred that the excited state for above said molecules is more polar than the ground state. The present investigations may shine in the design of nonlinear optical materials. Graphical Abstract The photophysical properties for novel coumarin derivatives were studied in different solvents.Ground and excited state dipole moments were estimated by the solvatochromic shift method. The excited state dipole moment is greater than the ground state dipole moment in systems studied. The excited state is more polar than the ground state. The present investigation may be shine in the design of non linear optical materials.
在此，我们研究了三种新合成的香豆素衍生物的光物理性质；4-((2,6-二溴-4-甲基苯氧基)甲基)-2H-苯并[h]色烯-2-酮（DMB）、4-((3,4-二氢-6,7-二甲氧基异喹啉-1-基)甲基)-6-甲基-2H-色烯-2-酮（DIM）和4-((对甲苯氧基)甲基)-6-甲氧基-2H-色烯-2-酮（TMC）。为了计算它们的基态和激发态偶极矩，在室温下于不同溶剂中记录了上述分子的吸收光谱和发射光谱。这些香豆素衍生物的基态（μ ）和激发态偶极（μ ）矩通过溶剂化显色位移法，使用Lippert方程、Bakshiev方程和Kawski-Chamma-Viallet方程进行计算，该方法涉及斯托克斯位移随溶剂介电常数和折射率的变化。基态偶极矩（μ ）也使用溶质分子的介电常数和折射率通过古根海姆方法进行计算。从这两种方法获得的基态偶极矩值具有良好的相关性。此外，值得注意的是，对于所有三种溶质分子，激发态偶极矩都大于基态偶极矩。可以推断，上述分子的激发态比基态更具极性。本研究可能会为非线性光学材料的设计提供启示。图形摘要：在不同溶剂中研究了新型香豆素衍生物的光物理性质。通过溶剂化显色位移法估算了基态和激发态偶极矩。在所研究的体系中，激发态偶极矩大于基态偶极矩。激发态比基态更具极性。本研究可能会为非线性光学材料的设计提供启示。
