Experimental and computational studies on 4-[(3, 5-dimethyl-1H-pyrazol-1-yl) methoxy] phthalonitrile and synthesis and spectroscopic characterization of its novel …
Yazarlar (5)
Hakkı Türker Akçay
Prof. Dr. Rıza BAYRAK Sinop Üniversitesi, Türkiye
Ertan Şahin
Kaan Karaoğlu
Prof. Dr. Ümit Demirbaş Sinop Üniversitesi
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | ||
| Makale Dili | – | Basım Tarihi | 10-2013 |
| Cilt / Sayı / Sayfa | 114 / 0 / 531–540 | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S1386142513005313 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
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| Özet |
| The molecular structure of the substituted phthalonitrile was analyzed crystallographically and compared with optimized geometric structure. The structural properties of the compound such as energy, vibrational frequency, ground state transitions, 1H and 13C NMR chemical shifts, NBO analysis and hyperpolarizability were computed by DFT (Density Functional Theory) method and compared with experimental results. The novel Mg(II) and Sn(II) phthalocyanines synthesized from the substituted phthalonitrile and their aggregation behaviors were investigated in different solvents and at different concentrations in DMSO. |
| Anahtar Kelimeler |
