A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods

Ebru Karakaş Sarıkaya; Ömer Dereli; Semiha Bahçeli; Feride Pınar Özturan

Makale detayları

A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods

Yazarlar:

Ebru Karakaş Sarıkaya | Ömer Dereli | Semiha Bahçeli | Feride Pınar Özturan

Yayıncı:

Sakarya University

Ana Başlıklar:

Metrology | Applied and Industrial Physics

Dergi:

Sakarya University Journal of Science Vol.27 Issue 2, pp.452-463

Belge Tipi:

Makale

Yayın Tarihi:

4/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001287184

pISSN:

2147-835X

Anahtar kelimeler:

Özet:

 Organic compounds like 2,2-Bithiophene with a synonym. 2,2-bithienyl, 2,2-dithienyl-containing bisdioxaborin have drawn significant concern in the area of materials science because of their electron affinity and luminescent properties. With this motivation, we have been concentrating on the properties and functions of 2,2-Bithiophene. The vibrational frequencies of the molecule 2,2-Bithiophene in the solid phase were recorded using the Fourier Transformed-Infrared FT-IR and FT-Raman spectrometers. Meanwhile, the molecular geometric parameters, the spectral wavenumbers, HOMO-LUMO analysis and the molecular electrostatic potential MEP of the 2,2-Bithiophene molecule were computed at the B3LYP 6-311G d,p level of the theory. Furthermore, a comparison between experimental and calculated values for the vibrational frequencies of the 2,2-Bithiophene molecule exhibits a good agreement.

 Organic compounds like 2,2-Bithiophene with a synonym. 2,2-bithienyl, 2,2-dithienyl-containing bisdioxaborin have drawn significant concern in the area of materials science because of their electron affinity and luminescent properties. With this motivation, we have been concentrating on the properties and functions of 2,2-Bithiophene. The vibrational frequencies of the molecule 2,2-Bithiophene in the solid phase were recorded using the Fourier Transformed-Infrared FT-IR and FT-Raman spectrometers. Meanwhile, the molecular geometric parameters, the spectral wavenumbers, HOMO-LUMO analysis and the molecular electrostatic potential MEP of the 2,2-Bithiophene molecule were computed at the B3LYP 6-311G d,p level of the theory. Furthermore, a comparison between experimental and calculated values for the vibrational frequencies of the 2,2-Bithiophene molecule exhibits a good agreement.

 Organic compounds like 2,2-Bithiophene with a synonym. 2,2-bithienyl, 2,2-dithienyl-containing bisdioxaborin have drawn significant concern in the area of materials science because of their electron affinity and luminescent properties. With this motivation, we have been concentrating on the properties and functions of 2,2-Bithiophene. The vibrational frequencies of the molecule 2,2-Bithiophene in the solid phase were recorded using the Fourier Transformed-Infrared FT-IR and FT-Raman spectrometers. Meanwhile, the molecular geometric parameters, the spectral wavenumbers, HOMO-LUMO analysis and the molecular electrostatic potential MEP of the 2,2-Bithiophene molecule were computed at the B3LYP 6-311G d,p level of the theory. Furthermore, a comparison between experimental and calculated values for the vibrational frequencies of the 2,2-Bithiophene molecule exhibits a good agreement.

 Organic compounds like 2,2-Bithiophene with a synonym. 2,2-bithienyl, 2,2-dithienyl-containing bisdioxaborin have drawn significant concern in the area of materials science because of their electron affinity and luminescent properties. With this motivation, we have been concentrating on the properties and functions of 2,2-Bithiophene. The vibrational frequencies of the molecule 2,2-Bithiophene in the solid phase were recorded using the Fourier Transformed-Infrared FT-IR and FT-Raman spectrometers. Meanwhile, the molecular geometric parameters, the spectral wavenumbers, HOMO-LUMO analysis and the molecular electrostatic potential MEP of the 2,2-Bithiophene molecule were computed at the B3LYP 6-311G d,p level of the theory. Furthermore, a comparison between experimental and calculated values for the vibrational frequencies of the 2,2-Bithiophene molecule exhibits a good agreement.

Makale detayları

A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods

Yazarlar:

Ebru Karakaş Sarıkaya | Ömer Dereli | Semiha Bahçeli | Feride Pınar Özturan

Yayıncı:

Sakarya University

Ana Başlıklar:

Metrology | Applied and Industrial Physics

Dergi:

Sakarya University Journal of Science Vol.27 Issue 2, pp.452-463

Belge Tipi:

Makale

Yayın Tarihi:

4/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001287184

pISSN:

2147-835X

2

2’-bithiophene

FT-IR and FT-Raman spectroscopies

DFT method

conformational analysis

Sayı

Makale detayları

A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods

Yazarlar: Ebru Karakaş Sarıkaya | Ömer Dereli | Semiha Bahçeli | Feride Pınar Özturan

Yayıncı: Sakarya University

Ana Başlıklar: Metrology | Applied and Industrial Physics

Dergi: Sakarya University Journal of Science Vol.27 Issue 2, pp.452-463

Belge Tipi: Makale

Yayın Tarihi: 4/2023

Belge Dili: İngilizce

Document ID (Org No.): 2001287184

pISSN: 2147-835X

2

2’-bithiophene

FT-IR and FT-Raman spectroscopies

DFT method

conformational analysis

Sayı

Yazarlar:

Ebru Karakaş Sarıkaya | Ömer Dereli | Semiha Bahçeli | Feride Pınar Özturan

Yayıncı:

Sakarya University

Ana Başlıklar:

Metrology | Applied and Industrial Physics

Dergi:

Sakarya University Journal of Science Vol.27 Issue 2, pp.452-463

Belge Tipi:

Makale

Yayın Tarihi:

4/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001287184

pISSN:

2147-835X