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Fluorescence Behavior of Aromatic Compounds Immobilized on A Substrate Surface:A Monte Carlo Simulation
Wang Weina,Fang Yu*,Zhang Zhengpu,Jiang Xintian
Author NameAffiliationE-mail
Wang Weina School of Chemistry and Materials ScienceShanxi Normal UniversityXi'an 710062  
Fang Yu* School of Chemistry and Materials ScienceShanxi Normal UniversityXi'an 710062 The State Key Laboratory of Functional Polymeric Materials for Adsorption and SeparationNankai UniversityTianjin 300071 yfang@snnu.edu.cn 
Zhang Zhengpu The State Key Laboratory of Functional Polymeric Materials for Adsorption and SeparationNankai UniversityTianjin 300071  
Jiang Xintian School of Chemistry and Materials ScienceShanxi Normal UniversityXi'an 710062  
Abstract:
Recently,a series of sensing films based upon the supra-molecular behavior of aromatic compounds immobilized on substrate surfaces and its dependence to the composition of the medium have been successfully prepared. It is found that the properties and performances of the films depend upon various factors,including the nature of the sensing element,the way of immobilization,the nature of the substrate,and the density of the sensing element immobilized etc. To accelerate and deepen the studies,it was decided to carry out the theoretical simulation of the sensing films based upon the proposed principle. The fluorescence behavior of a functional plate,of which the surface is functionalized by single layer immobilization of aromatic compounds(sensing elements),is simulated by Monte Carlo simulation method. The effects of the immobilization density of a sensing element,the excitation efficiency,and the association efficiency,P,which is a characteristic parameter of an aromatic compound,between the molecules of the sensing element on the ratio of the excimer emission to the monomer emission of the plate have been systematically examined. But the effects of the length and flexibility of a spacer are neglected,because in this simulation aromatic compounds are immobilized on a plate by the short stiff spacer. It is demonstrated that,for a functionalized plate of a short stiff spacer in a polar solvent( in this case,the association tendency is strong,and P is close to 1),aromatic compounds of middle excitation efficiency might be suitable as sensing elements. In addition,the immobilization density of the sensing element should be controlled. A recommended value is about 50%.
Key words:  Monte Carlo method,Sensing elements,Aromatic compounds,Fluorescence,Excimer
FundProject:
表面单层组装多环芳烃荧光行为的Monte Carlo模拟
王渭娜,房喻*,张政朴,姜心田
摘要:
用Monte Carlo方法模拟了惰性基片表面单层组装多环芳烃(传感元素)的荧光行为,考察了基片表面传感元素固定化百分率、传感元素激发百分率(光吸收效率)以及传感元素分子在介质中相互缔合形成激基缔合物趋势大小(用P表示,P值介于0到1)等因素对传感元素激基缔合物荧光发射强度与单体荧光发射强度之比所产生的影响. 结果表明,具有中等光吸收效率的多环芳烃适宜于作为传感元素,中等固定化密度的基片可能具有比较理想的传感性能.
关键词:  Monte Carlo模拟  传感元素  多环芳烃  荧光  激基缔合物
DOI:10.1088/1674-0068/17/1/51-55
分类号: