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

Abstract

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.

Keywords

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

AMA

1.Özdemir T, Gökçe H. Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule. CSJ. 2017;38(4):759-769. doi:10.17776/csj.340497

Chicago

Özdemir, Tuba, and Halil Gökçe. 2017. “Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule”. Cumhuriyet Science Journal 38 (4): 759-69. https://doi.org/10.17776/csj.340497.

EndNote

Özdemir T, Gökçe H (December 1, 2017) Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule. Cumhuriyet Science Journal 38 4 759–769.

IEEE

[1]T. Özdemir and H. Gökçe, “Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule”, CSJ, vol. 38, no. 4, pp. 759–769, Dec. 2017, doi: 10.17776/csj.340497.

ISNAD

Özdemir, Tuba - Gökçe, Halil. “Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule”. Cumhuriyet Science Journal 38/4 (December 1, 2017): 759-769. https://doi.org/10.17776/csj.340497.

JAMA

1.Özdemir T, Gökçe H. Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule. CSJ. 2017;38:759–769.

MLA

Özdemir, Tuba, and Halil Gökçe. “Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule”. Cumhuriyet Science Journal, vol. 38, no. 4, Dec. 2017, pp. 759-6, doi:10.17776/csj.340497.

Vancouver

1.Tuba Özdemir, Halil Gökçe. Experimental and Theoretical Investigations of Molecular Structure and Vibrational Frequencies of Hypericin Molecule. CSJ. 2017 Dec. 1;38(4):759-6. doi: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