林产化学与工业Issue(3)：1-6,6.DOI:10.3969/j.issn.0253-2417.2014.03.001
脱氢枞酸芳胺化合物的结构优化及溶致变色行为
Structure Optimization by DFT and Solvatochromism of Series of Dehydroabietic Acid-based Arylamines
摘要
Abstract
Molecular configuration of compounds 5a-5g(methyl 13-(phenyl) aminodeisopropyldehydroabietate(5a),Methyl 13-(4-methoxyphenyl) aminodeisopropyldehydroabietate(5b),methyl 14-(phenyl) aminodehydroabietate(5c),methyl 13-(8-quinoline) aminodeisopropyldehydroabietate(5d),methyl 13-(α-naphthalene)aminodeisopropyldehydroabietate(5e),methyl 13-( p-bromodiphenyl ) aminodeisopropyldehydroabietate ( 5f ), methyl 13-( 4-methylphenyl ) aminodeisopropyldehydroabietate (5g)) and 6a-6h(Methyl 13-[N,N-(4-methoxyphenyl)-phenyl]aminodeisopropyldehydroabietate(6a),methyl 13-[N,N -(p-bromobiphenyl )-phenyl ] aminodeisopropyldehydroabietate ( 6b ), methyl 13-[ N, N-( 4-methylphenyl )-phenyl ] aminodeisopropyldehydroabietate(6c),methyl 13-(N,N-bis-phenyl) aminodeisopropyldehydroabietate(6d),methyl 13-[N, N-bis ( 4-methoxyphenyl )] aminodeisopropyldehydroabietate ( 6e ), methyl 13-[ N, N- ( α-naphthalene )-phenyl ] aminodeisopropyldehydroabietate(6f),methyl 13-[N,N -bis(4-methylphenyl)-phenyl]aminodeisopropyldehydroabietate(6g), methyl 13-[N,N-biphenyl-phenyl]aminodeisopropyldehydroabietate(6h)) were optimized by DFT/B3LYP using Gaussian 03. Their fluorescent properties in solvents of different polarity were analysed, and the relationship between structures and properties were also discussed. The results show that the conjugated length or substituent groups on aryl rings of compounds have big effect on their conjugated degree, and then affect their fluorescent properties. Compounds 5a -5g, 6f, 6b and 6h have deffrent fluorescent emmision wavelengths and all compounds show defferent fluorescent intensity in defferent polarity solvents. Above properties indicate that these compounds have potential to be used as fluorescent probes in different polarity environment.关键词
脱氢枞酸芳胺/结构优化/溶致变色Key words
dehydroabietic acid-based arylamine/structure optimization/solvatochromism分类
化学化工引用本文复制引用
高宏,陈姗姗,宋湛谦,商士斌..脱氢枞酸芳胺化合物的结构优化及溶致变色行为[J].林产化学与工业,2014,(3):1-6,6.基金项目
国家自然科学基金资助项目(31170539) （31170539）
