Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userTheoretical Study of Selected Laser Dye Materials
دراسة نظرية لبعض مواد أصبغة الليزر
1031
1 69
0
(
0
)
Added by
Damascus University ورقة بحثية
Publication date
2011
fields
Physics
and research's language is
العربية
Created by
Shamra Editor
Ask ChatGPT about the research
قمنا في هذا العمل بحساب الخواص الإلكترونية للتركيب الجزيئي لصباغ الكومارين فـي الـسويتين الأرضية و المهيجة باستخدام نظرية التابعية للكثافة و التأثير المتبادل للتشكيلات في السويات الأحادية، كما حسبنا الطيف الاهتزازي (IR) و طيف الامتصاص (Vis/UV) و المدارات الجزيئية و فجوة الطاقـة. كمـا استخدمنا في حساباتنا محلات مختلفة مثل الايتانول و الماء و الميثانول و الأسـتونترل (ACN) و أكـسيد كبريت ثنائي ميثل (DMSO) و الأسيتون و ثنائي كلور الميثان، لمقارنة طيف الامتـصاص الالكترونـي. قورنت نتائجنا الحسابية بالقيم التجريبية.
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.
References used
Georgieva, Trendafilova, N., Aquino, A. and Lischka, H. (2005). Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study, J. Phys. Chem. October 19
Freeman, H.S. and Peters, A. T. (Editors). (2000). Colorants for Non-Textile Applications, Elsevier Science B.V
Weber, M. J. (2001). Handbook of Lasers, Lawence Berkeley National Laboratory, Univ. of California, Berkeley, California
rate research
Read More
Theoretical calculations using density functional theory (DFT) both on semi
empirical and Ab initio levels have been carried out for pyrromethene laser
dye and related compounds (PM-chromophore, PM-4m, PM 546, PM650 PM
567 and PM597). We carried o
ut theoretical calculations using DFT, AM1, TDDFT
and CIS on ground and excited states for the selected laser dye materials,
we obtained the optimized geometry of the molecules, UV, IR spectrum, and
the transition between the ground S0 and the first excited S1 states exclusively,
the HOMO and LUMO states and other properties.
This study aimed to evaluate the extent of the
microleakage in the cavities which prepared with Er:YAG (erbium:
yttrium aluminum garnet) laser or diamond burs and restored by
using of different types of resin materials.
Human gingival pigmentation cause esthetic problems and
embarrassment, especially in women and patients with a gummy smile.
This study was performed to see the effect and the clinical influence
of CO2 laser on pigmented gingiva. This new technique
performed for the
first time in Syria.
The current research problem sheds light on family socialization and its relation to
drug abuse by presenting the concept of social upbringing in general and family in
particular, and identifying the forms of this formation that may contribute to i
ts erroneous
models in the emergence of many phenomena of deviation such as drug abuse.
The aim of the research is to: Recognize the functions of social upbringing in order to
activate its role in the treatment of phenomena of deviation.
This research has reached a number of results, the most important of which is that the
form of family formation in which the individual is exposed plays an important role in
predicting the normal or abnormal behavior patterns that the individual will exercise in the
future.
This research ended with a number of proposals reached through the theoretical
framework of this research as well as an analysis of the results of previous studies related
to the subject.
In this research, we have done Theoretical study, how to use
perturbation theory in order to obtain approximate solutions of the
time dependent Schrödinger equation.
We also considered application of time dependent perturbation theory to case where the
atomic quantum system interacts with electromagnetic radiation.
suggested questions
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
