Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule | Zendy

Tuba Özdemi̇r Öge | Zendy; Halil Gökçe | Zendy

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Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule

Author(s) -

Tuba Özdemi̇r Öge,

Halil Gökçe

Publication year - 2017

Publication title -

cumhuriyet science journal

Language(s) - Turkish

Resource type - Journals

eISSN - 2587-246X

pISSN - 2587-2680

DOI - 10.17776/csj.340497

Subject(s) - hypericin , molecule , molecular orbital , density functional theory , wavenumber , molecular vibration , chemistry , molecular physics , computational chemistry , spectroscopy , molecular geometry , infrared spectroscopy , physics , optics , organic chemistry , quantum mechanics , medicine , pharmacology

Bu calismada hiperisin molekulunun titresim analizi FT-IR spektroskopisi ile deneysel olarak gerceklestirildi. Ayni zamanda, hiperisin molekulunun molekuler yapisi, geometrik parametreleri, titresim dalgaboylari, molekuler elektrostatik potansiyeli ile en yuksek ve en dusuk dolu orbital (HOMO-LUMO) analizleri Yogunluk Fonksiyonel Teorisi ile teorik olarak elde edildi. Titresim dalgaboylarinin literatur verileri ve mevcut calismadan elde edilen deneysel sonuclarla tutarli oldugu gozlemlendi.

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