Investigation of the Effect of Substitutions on the Electronic and Optical Properties of the Sumanene Molecule

Article Type:
Research/Original Article (دارای رتبه معتبر)

Sumanene (C21H12) is the smallest bowl-shaped molecule containing a central benzene ring, which is alternately surrounded by another 3 benzene rings and cyclopentadiene rings. In this study, the effect of various electron donor and receptor substitutions on its structure, electrical and optical properties were investigated. The results showed that the electron-bonding and electron-donor-acceptor groups to sumanene greatly affected the electrical properties. In contrast, the most significant effect occurred when NO and CH2Li substitutions were at the two positions simultaneously. These substitutions also greatly influenced optical properties and significantly increased its polarization and polarization values. The most significant effect occurred when BH2 and NCH3Li were replaced in position 1. Finally, the absorption spectrum of the substituted molecules was examined when the BH2-NCH3Li groups were in position 1.

Chemical Review and Letters, Volume:6 Issue: 4, Autumn 2023
494 to 505  
دانلود و مطالعه متن این مقاله با یکی از روشهای زیر امکان پذیر است:
اشتراک شخصی
با عضویت و پرداخت آنلاین حق اشتراک یک‌ساله به مبلغ 1,390,000ريال می‌توانید 70 عنوان مطلب دانلود کنید!
اشتراک سازمانی
به کتابخانه دانشگاه یا محل کار خود پیشنهاد کنید تا اشتراک سازمانی این پایگاه را برای دسترسی نامحدود همه کاربران به متن مطالب تهیه نمایند!
  • حق عضویت دریافتی صرف حمایت از نشریات عضو و نگهداری، تکمیل و توسعه مگیران می‌شود.
  • پرداخت حق اشتراک و دانلود مقالات اجازه بازنشر آن در سایر رسانه‌های چاپی و دیجیتال را به کاربر نمی‌دهد.
In order to view content subscription is required

Personal subscription
Subscribe for 70 € euros via PayPal and download 70 articles during a year.
Organization subscription
Please contact us to subscribe your university or library for unlimited access!