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New Syntheses of 4NPMA Homopolymer and Its Copolymer with Limonene: Experimental Analysis and Density Functional Theory Study    
Yazarlar
Nevin Çankaya
Uşak Üniversitesi, Türkiye
 Emine TANIŞ Emine TANIŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Pembe Gül Sapan
Özet
Abstract: The N-(4-nitrophenyl)methacrylamide homopolymer (poly(4NPMA)) and copolymer of limonene with N-(4-nitrophenyl)methacrylamide (4NPMA-co-LIM) have been synthesized and characterized by FT-IR and NMR spectroscopic methods. The spectroscopic properties of poly(4NPMA) and 4NPMA-co-LIM were predicted using Density Functional Theory (DFT) calculations. The results have been compared with observed values, and they match with each other. Frontier orbital analysis (FMOs), global reactivity descriptors, MEP as well as Mulliken atomic charge were calculated with same method for poly(4NPMA) and 4NPMA-co-LIM. The physical properties of homopolymer of NPMA and its copolymer with D-Limonene were compared and evaluated. Thermal stabilities of homo and copolymer were investigated.
Anahtar Kelimeler
4NPMA-co-LIM | density functional theory (DFT) | frontier orbital analysis | MEP | poly(4NPMA)
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Russian Journal of Physical Chemistry A
Dergi ISSN 1531-863X
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili İngilizce
Basım Tarihi 01-2021
Cilt No 95
Sayı 1
Sayfalar 139 / 153
Doi Numarası 10.1134/S0036024421010052
Makale Linki https://www.springer.com/journal/11504