| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Molecular Physics (Q3) | ||
| Dergi ISSN | 0026-8976 Dergi Bilgileri (2025) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 05-2025 |
| Kabul Tarihi | 08-08-2024 | Yayınlanma Tarihi | 27-08-2024 |
| Cilt / Sayı / Sayfa | 123 / 10 / – | DOI | 10.1080/00268976.2024.2391997 |
| Makale Linki | http://dx.doi.org/10.1080/00268976.2024.2391997 | ||
| UAK Araştırma Alanları |
Optoelektronik
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| Özet |
| 5,17-Di-tert-butyl-11,23-diformyl-26,28-dimethoxycalix[4]arene-25,27-diol (1) has been synthesised, and then characterised via elemental analysis, X-ray diffraction and MALDI-TOF mass spectrometry analyses, and also FT-IR, Raman, 1H NMR, 13C NMR, UV–Vis spectral techniques. The density-functional theory (DFT) has been utilised to calculate the electric dipole moment (µ), dispersion-free dipole polarisability (α) and second-order hyperpolarisability (β) values for 1. The maximum one-photon absorption, vibrational frequency and NMR chemical shift descriptions of 1 have been also evaluated employing computational chemistry. Both simulated and also measured UV–Vis, vibrational, NMR spectra for title calix[4]arene have been introduced. Additionally, the conclusions of observed and simulated spectra have been evaluated together so as to assert the accordance among them. It has been ascertained that … |
| Anahtar Kelimeler |
| DFT | NMR analyses | quadratic NLO | UV–Vis and MO analyses | Vibrational frequency analyses |
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 1 |
| Google Scholar | 3 |
| Dergi Adı | MOLECULAR PHYSICS |
| Kısa Adı | MOL PHYS |
| Yayıncı | TAYLOR & FRANCIS LTD |
| Açık Erişim | Hayır |
| ISSN | 0026-8976 |
| E-ISSN | 1362-3028 |
| Wos Quartile | Q3 |
| Scopus Quartile | Q3 |
| Tarandığı Indeksler | SCIE , Scopus |
| WoS Kategoriler | CHEMISTRY, PHYSICAL | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL |
| Scopus Kategoriler | CONDENSED MATTER PHYSICS | PHYSICAL AND THEORETICAL CHEMISTRY | BIOPHYSICS | MOLECULAR BIOLOGY |