NTCDA compounds of optoelectronic interest: Theoretical insights and experimental investigation
Yükleniyor...
Tarih
2021
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Structural, electronic, and spectroscopic properties of 1,4,5,8-naphthalene-tetracarboxylic dianhydride organic semiconductor molecule are reported based on experimental and computational methods. The spectroscopic investigations were carried out via H1 and C13 NMR chemical shifts and UV–VIS spectroscopy. The effects of solvation of NTCDA molecule into different solvents were investigated to explore the effect of polarities of solvents on the absorption peak of the compound. Positive charges on the Carbon atom side were discovered to be more prominent, leading to the conclusion that the NTCDA molecule could be suited for optoelectronic applications with mid-range optical band gaps.
Açıklama
Anahtar Kelimeler
Bandgap energy, Optoelectronic parameters, Density functional theory, Hartree-Fock, FTIR, UV–Vis, NMR
Kaynak
Chemical Physics Letters
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
780
Sayı
Künye
Hssain, A. H., Gündüz, B., Majid, A., & Bulut, N. (2021). NTCDA Compounds of Optoelectronic Interest: Theoretical Insights and Experimental Investigation. Chemical Physics Letters, 138918.
