Conformational analysis vibrational and NMR spectroscopic study of the methanesulfonamide N N 1 2 ethanediylbis
Yazarlar (5)
Hamit Alyar Çankiri Karatekin Üniversitesi, Türkiye
Arslan Ünal Bilecik Şeyh Edebali Üniversitesi, Türkiye
Saliha Alyar Çankiri Karatekin Üniversitesi, Türkiye
Nurcan Karacan
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Prof. Dr. Neslihan ÖZBEK Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy | ||
| Dergi ISSN | 1386-1425 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2012 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 91 / 1 / 39–47 | DOI | 10.1016/j.saa.2012.01.065 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S1386142512000789 | ||
| Özet |
| A conformational analysis of the methanesulfonamide-N,N′-1,2-ethanediylbis (msen) was performed by using vibrational and NMR spectroscopies as well as theoretical computations. The possible stable conformers of msen on its potential energy surface were investigated by semi-empirical PM5 method and appropriate structures were defined with B3LYP hybrid density functional theory (DFT) method along with the basis sets of different size and type. Six different rotational isomers were found as the result of DFT calculation. The two isomer, called trans–trans-gauche+-eclipsed, synperiplanar (ttg+-e,bis) and trans-gauche+–gauche−-staggered, antiplanar (tg+g−-s,anti), were considered in the vibrational spectral analysis. The infrared (4000–30cm−1) and Raman (4000–60cm−1) spectra of msen were measured in solid state. For a complete assignment of the vibrational spectra, DFT calculations at B3LYP/6311 … |
| Anahtar Kelimeler |
| Conformational analysis | Density functional theory | Disulfonamide | FT-IR, far-infrared and dispersive Raman spectra | NMR spectra |
Science Direct
Conformational analysis vibrational and NMR spectroscopic study of the methanesulfonamide N N 1 2 ethanediylbis
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 28 |
| Scopus | 1 |
| Web of Science | 22 |