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

Tuba Özdemir; Halil Gökçe

doi:10.17776/csj.340497

TR EN

Hypericin molekülünün Moleküler Yapısı ve Titreşim Frekanlarının Deneysel ve Teorik olarak İncelenmesi

Öz

Bu çalışmada hiperisin molekülünün titreşim analizi FT-IR spektroskopisi ile deneysel olarak gerçekleştirildi. Aynı zamanda, hiperisin molekülünün moleküler yapısı, geometrik parametreleri, titreşim dalgaboyları, moleküler elektrostatik potansiyeli ile en yüksek ve en düşük dolu orbital (HOMO-LUMO) analizleri Yoğunluk Fonksiyonel Teorisi ile teorik olarak elde edildi. Titreşim dalgaboylarının literatür verileri ve mevcut çalışmadan elde edilen deneysel sonuçlarla tutarlı olduğu gözlemlendi.

Anahtar Kelimeler

Hiperisin,Titreşim Spektrumları,DFT,HOMO ve LUMO analizleri,MEP yüzeyi

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Details

Primary Language

English

Subjects

-

Journal Section

Research Article

Authors

Tuba Özdemir

Halil Gökçe

Publication Date

December 8, 2017

Submission Date

January 31, 2017

Acceptance Date

July 17, 2017

Published in Issue

Year 2017 Volume: 38 Number: 4

DOI

https://doi.org/10.17776/csj.340497

IZ

https://izlik.org/JA26BZ59HY

Cite

RIS / Bibtex

APA

Özdemir, T., & Gökçe, H. (2017). Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule. Cumhuriyet Science Journal, 38(4), 759-769. https://doi.org/10.17776/csj.340497

Cited By

Additivity Rule (or Sum Rule) as a Prognostic Tool for Energy Value of Highest Occupied Molecular Orbital (or HOMO) of Organic Molecule

SSRN Electronic Journal

https://doi.org/10.2139/ssrn.3394292

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

Hypericin molekülünün Moleküler Yapısı ve Titreşim Frekanlarının Deneysel ve Teorik olarak İncelenmesi

Öz

Anahtar Kelimeler