Metoksimetiltrifenilfosfonyum Klorür Tek Kristalinde Oluşturulan Yapısal Bozukluğun Elektron Paramanyetik Rezonans ile Tespiti

Yıl 2023, Cilt: 26 Sayı: 1, 457 - 468, 27.03.2023

Ali Cengiz Çalışkan Betül Çalışkan

https://doi.org/10.2339/politeknik.992660

Öz

Metoksimetiltrifenilfosfonyum klorür (MOMTPPC) tek kristalleri Elektron Paramanyetik Rezonans (EPR) spektroskopi yöntemi ile analiz edilmiştir. MOMTPPC tek kristalleri, 60Co- kaynağı ile ışınlanarak paramanyetik bozukluklar oluşturulmuştur. MOMTPPC tek kristallerinin EPR spektrumları, 120 K sıcaklıkta üç dik eksen etrafında belirli açılarda döndürülerek EPR spektrumları alınmıştır. MOMTPPC'de ışınlama etkisiyle oluşan radikalin yapısı, EPR spektrumlarının detaylı incelenmesi ile elde edilmiştir. Radyasyonun etkisiyle C20-H24 bağı kopmuş ve bir paramanyetik merkez oluşmuştur. Kimyasal bağın kopması sonucu oluşan radikalin eşleşmemiş elektronunun C20 atomu üzerinde bulunduğu belirlenmiştir. Radyasyon hasar merkezine ait anizotropik g-faktörü ve aşırı ince yapı çiftlenim sabitleri belirlenmiştir. Spektroskopik yarılma faktörünün izotropik değeri g = 2,00764 olarak elde edilirken, aşırı ince yapı sabitlerinin izotropik değerleri ise sırasıyla, 〖(a_H)〗_α = 2,010 mT, 〖(a_P)〗_β = 3,196 mT ve 〖(a_(C_6 H_5 ))〗_γ= 〖(a_fenil)〗_γ = 0,472 mT olarak hesaplanmıştır. EPR parametrelerine ait yön kosinüsleri elde edilmiştir. Ayrıca, simülasyon çalışmaları ile deneysel verilerimizin doğruluğu desteklenmiştir.  

Anahtar Kelimeler

EPR, (metoksimetil)trifenilfosfonyum klorür (C20H20ClOP), spektroskopik yarılma faktörü, aşırı ince yapı çiftlenim sabiti, radyasyon hasar merkezi.

Destekleyen Kurum

Pamukkale Üniversitesi-BAP

Proje Numarası

The BAP of Pamukkale University [grant number 2012FBE037].

Teşekkür

2012FBE037 numaralı projeye desteklerinden dolayı Pamukkale Üniversitesi Bilimsel Araştırma Projeleri Birimi’ne teşekkür ederiz.

Detection of Structural Defect in Methoxymethyltriphenylphosphonium Chloride Single Crystal by Electron Paramagnetic Resonance

Öz

Single crystals of methoxymethyltriphenylphosphonium chloride (MOMTPPC) were analyzed by Electron Paramagnetic Resonance (EPR) spectroscopy method. Gamma radiation from 60Co was used to create paramagnetic defects in MOMTPPC single crystal. EPR spectra of MOMTPPC single crystals were obtained at 120 K temperature by rotating around three orthogonal axes. The structure of the radical formed by the irradiation effect in MOMTPPC was found by detailed examination of the EPR spectra. With the effect of radiation, the C20-H24 bond was broken and a paramagnetic center was formed. It has been determined that the unpaired electron of the radical formed as a result of the breaking of the chemical bond is located mainly on the C20 atom. The anisotropic g-factor and hyperfine coupling constants of the radiation damage center were determined. While the isotropic value of the spectroscopic splitting factor is obtained as g = 2.00764, the isotropic values of the hyperfine structure constants are 〖(a_H)〗_α = 2.010 mT, 〖(a_P)〗_β = 3.196 mT and 〖(a_(C_6 H_5 ))〗_γ= 〖(a_fenil)〗_γ = 0.472 mT. Direction cosines of EPR parameters were obtained. Simulation was also carried out to prove the accuracy of our experimental data.

Anahtar Kelimeler

EPR, (methoxymethyl)triphenylphosphonium chloride (C20H20ClOP), spectroscopic splitting factor, hyperfine coupling constant, radiation damage center.

Proje Numarası

The BAP of Pamukkale University [grant number 2012FBE037].

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