شماره ركورد
84778
عنوان مقاله
Theoretical Study of Selected Laser Dye Materials
پديد آورندگان
Al-soso, J. Damascus University - Higher Institute for laser Research and Applications, Syria , El-Daher, M. Sayem Damascus University - Higher Institute for laser Research and Applications, Syria
از صفحه
57
تا صفحه
70
تعداد صفحه
14
چكيده عربي
لا يمكن إدراج ملخص المقال
چكيده لاتين
In this work theoretical calculation of the ground and excited state of coumarin compounds are performed using DFT-B3LYP and CIS methods with 6-31G basis set. IR spectrum, UV/Vis spectrum, molecular orbitals and energy gap are calculated. We use different solvents ethanol, methanol, water, acetonitrile (ACN) dimethyl sulfoxide (DMSO) acetone, and dichloromethane to compare values of UV/Vis absorption spectra. Then the calculated results are compared with the experimental values.
كليدواژه
Coumarin dye , Laser dye , Semi empirical , DFT , CIS , Excited states , solvation models , UV , Vis spectra.
سال انتشار
2012
عنوان نشريه
مجله جامعه دمشق للعلوم الاساسيه
عنوان نشريه
مجله جامعه دمشق للعلوم الاساسيه
لينک به اين مدرک