FTIR spectroscopic and quantum chemical studies on some tribromoindenes and their isomers
Yazarlar (4)
O. Unsalan Istanbul Üniversitesi, Türkiye
A. Tutar Sakarya Üniversitesi, Türkiye
C. Sancak Ünlü Sakarya Üniversitesi, Türkiye
Prof. Dr. Ramazan ERENLER Tokat Gaziosmanpaşa Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | OPTICS AND SPECTROSCOPY (Q4) | ||
| Dergi ISSN | 0030-400X Dergi Bilgileri (2011) | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2011 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-12-2011 |
| Cilt / Sayı / Sayfa | 111 / 6 / 894–903 | DOI | 10.1134/S0030400X1113025X |
| Makale Linki | http://link.springer.com/10.1134/S0030400X1113025X | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| Combined experimental and computational studies on molecular structure of newly synthesised transtirans 1,2,3-tribromo-1,2,3-trihydro-1H-benz[f]indene (TTTBI) were reported. Also, only computational studies were done for cis-trans-1,2,3-tribromo-1,2,3-trihydro-1H-benz[f]indene (CTTBI) and cis-cis-1,2,3-tribromo-1,2,3-trihydro-1H-benz[f]indene (CCTBI) in order to understand the vibrational spectra and molecular parameters of them. The geometry optimization and vibrational wave numbers of the title molecules were carried out with the Gaussian98 program package by using Hartree-Fock (HF) and Density Functional Theory (DFT) with B3LYP functional and 6–31G (d) basis set. All calculations were done for the title compounds in their ground states. Especially for CTTBI and CCTBI, which could not be synthesized yet, these kind of pre-calculations take an important role for their synthesis process. Also crystal … |
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BM Sürdürülebilir Kalkınma Amaçları
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| Web of Science | 3 |
| Google Scholar | 3 |