کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7840430 | 1505867 | 2018 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Elaborating the excited state multiple proton transfer mechanism for 9H-pyrido[3,4-b]indole
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Elaborating the excited state multiple proton transfer mechanism for 9H-pyrido[3,4-b]indole Elaborating the excited state multiple proton transfer mechanism for 9H-pyrido[3,4-b]indole](/preview/png/7840430.png)
چکیده انگلیسی
In this work, we theoretically study the excited state multiple proton transfer (ESMPT) mechanism of 9H-pyrido[3,4-b]indole (NOR) coupling with acetic acid (AcOH) in DCM solvent. We analyze structural changes, infrared (IR) vibrational spectra and charge redistribution, which reveals the tendency of ESMPT process. Exploring potential energy curves, we confirm that the protonation of pyridine nitrogen firstly occurs, which opens ESMPT reaction. In the whole ESMPT process, the powerful acceptance ability of AcOâ plays a vital role. Our investigation not only indicates NOR system undergoes a proton relay process in excited state and clarifies the ambiguous mechanism in previous experiment, but also paves the way for further investigating intermolecular multiple proton transfer interactions in biological and chemical science.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 195, March 2018, Pages 228-233
Journal: Journal of Luminescence - Volume 195, March 2018, Pages 228-233
نویسندگان
Jinfeng Zhao, Hao Dong, Yujun Zheng,