Experimental and computational studies on 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]phthalonitrile and synthesis and spectroscopic characterization of its novel phthalocyanine magnesium(II) and tin(II) metal complexes
Yazarlar (5)
Prof. Dr. Hakkı Türker Akçay Recep Tayyip Erdoğan Üniversitesi, Türkiye
Prof. Dr. Rıza BAYRAK Sinop Üniversitesi, Türkiye
Ertan Şahin Atatürk Üniversitesi, Türkiye
Kaan Karaoğlu Recep Tayyip Erdoğan Üniversitesi, Türkiye
Prof. Dr. Ümit Demirbaş Karadeniz Technical University, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2013) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2013 |
| Cilt / Sayı / Sayfa | 114 / 1 / 531–540 | DOI | 10.1016/j.saa.2013.05.042 |
| Makale Linki | https://doi.org/10.1016/j.saa.2013.05.042 | ||
| 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 hyper-polarizability 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. © 2013 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Hyperpolarizability | Mg(II) phthalocyanine | NBO | Sn(II) phthalocyanine | TD-DFT |
Science Direct
Experimental and computational studies on 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]phthalonitrile and synthesis and spectroscopic characterization of its novel phthalocyanine magnesium(II) and tin(II) metal complexes
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 21 |
| Scopus | 21 |