Effects of electron withdrawing groups on transfer integrals, mobility, electronic and photo-physical properties of naphtho[2,1-b:6,5-b ']difuran derivatives: a theoretical study

• Main Authors: Chaudhry, Aijaz Rasool, Ahmed, Rashid, Irfan, Ahmad, Shaari, Amiruddin, Al-sehemi, Abdullah
• Format: Article
• Published: American Scientific Publishers 2014
• Subjects: Q Science
• Online Access: http://eprints.utm.my/id/eprint/52599/; http://dx.doi.org/10.1166/sam.2014.1916

New derivatives of naphtho[2,1-b:6,5-b ]difuran (DPNDF) have been designed by attaching different electron withdrawing groups (EWGs) (including –COOH, –OCF3 and –CN). The molecular structures of all derivatives have been optimized at the ground (S 0) and first excited (S 1) states using density func...