Maximizing the Solar Energy Storage in water-soluble four-Substituted Norbornadiene-Quadricyclane System: DFT calculations

سال انتشار: 1389
محل انتشار: همایش منطقه ای شیمی
کد COI اختصاصی: MIAUCHEMISTRY01_037
زبان مقاله: انگلیسی
تعداد مشاهده: 486

نویسندگان

Islamic Azad University, Miyaneh Branch, Miyaneh, Iran

Payame Noor University (PNU), Zanjan, Iran

چکیده

Nowadays find the reply to energy problems through the employment of the environmentally secure solar energy has received much attention [1]. The alteration of quadricyclane, 2, to norbornadiene, 1, leads to create heat energies. The 1 / 2 system is used for solar energy storage [2]. In this research, we studied the photochemical energy storage in the ground states of 1X / 2X system (X attached at both carbon atoms of C2=C3 and C5=C6 , Extend of the solar energy stored in this system is measured simply by calculating the energy differences, ΔYN-Q(Y=E, H and G) on four-substituted norbornadienes (1X) and quadricyclanes (2X), (X = -NH2, -OH, -H, -CONH2, -NO2) were calculated at B3LYP/6-311++G** level. The DFT calculations show that solar energy storage is increased when two electron donating and two electron withdrawing substituents (push-pull) were attached at both sides of double bonds C2=C3 and C5=C6. However, The ΔG(1x)-(2x), is the most when four electron donating substituents (push-push) were attached at two sides of double bonds C2=C3 and C5=C6. The results will be presented and discussed.

کلیدواژه ها

مقالات مرتبط جدید

اطلاعات بیشتر در مورد COI

COI مخفف عبارت CIVILICA Object Identifier به معنی شناسه سیویلیکا برای اسناد است. COI کدی است که مطابق محل انتشار، به مقالات کنفرانسها و ژورنالهای داخل کشور به هنگام نمایه سازی بر روی پایگاه استنادی سیویلیکا اختصاص می یابد.

کد COI به مفهوم کد ملی اسناد نمایه شده در سیویلیکا است و کدی یکتا و ثابت است و به همین دلیل همواره قابلیت استناد و پیگیری دارد.