Design of novel substituted phthalocyanines synthesis and fluorescence, DFT, photovoltaic properties
Yazarlar (4)
Mehmet Salih Ağırtaş Van Yüzüncü Yıl Üniversitesi, Türkiye
Derya Güngördü Solğun Van Yüzüncü Yıl Üniversitesi, Türkiye
Doç. Dr. Ümit YILDIKO Kafkas Üniversitesi, Türkiye
Abdullah Özkartal Van Yüzüncü Yıl Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Turkish Journal of Chemistry (Q4) | ||
| Dergi ISSN | 1300-0527 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2020 |
| Cilt / Sayı / Sayfa | 44 / 6 / 1574–1586 | DOI | 10.3906/kim-2007-40 |
| Makale Linki | https://journals.tubitak.gov.tr/chem/lastIssue.htmjsessionid=5C7272C80D387A27370C209B14FDD867 | ||
| Özet |
| The 4-(2-[3,4-dimethoxyphenoxy] phenoxy) phthalonitrile was synthesized as the starting material of new syntheses. Zinc, copper, and cobalt phthalocyanines were achieved by reaction of starting compound with $Zn(CH_3 COO)_2, CuCl_2, and CoCl_2$ metal salts. Basic spectroscopic methods such as nuclear magnetic resonance electronic absorption, mass and infrared spectrometry were used in the structural characterization of the compounds. Absorption, excitation, and emission measurements of the fluorescence zinc phthalocyanine compound were also investigated in THF. Then, structural, energy, and electronic properties for synthesized metallophthalocyanines were determined by quantum chemical calculations, including the DFT method. The bandgap of HOMO and LUMO was determined to be chemically active. Global reactivity (I, A, η, s, μ, χ, ω) and nonlinear properties were studied. In addition, molecular electrostatic potential (MEP) maps were drawn to identify potential reactive regions of metallophthalocyanine (M-Pc) compounds. Photovoltaic performances of phthalocyanine compounds for dye sensitive solar cells were investigated. The solar conversion efficiency of DSSC based on copper, zinc, and cobalt phthalocyanine compounds was 1.69%, 1.35%, and 1.54%, respectively. The compounds have good solubility and show nonlinear optical properties. Zinc phthalocyanine gave fluorescence emission. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| TRDizin | 2 |