saujs Sakarya University Journal of Science 2147-835X Sakarya University 10.16984/saufenbilder.1181968 Metrology, Applied and Industrial Physics Metroloji,Uygulamalı ve Endüstriyel Fizik A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods https://orcid.org/0000-0003-2149-9341 Karakaş Sarıkaya Ebru NECMETTİN ERBAKAN ÜNİVERSİTESİ https://orcid.org/0000-0002-9031-8092 Dereli Ömer NECMETTİN ERBAKAN ÜNİVERSİTESİ https://orcid.org/0000-0002-5614-325X Bahçeli Semiha TÜRK HAVA KURUMU ÜNİVERSİTESİ https://orcid.org/0000-0002-8010-1498 Özturan Feride Pınar NECMETTİN ERBAKAN ÜNİVERSİTESİ 04 30 2023 27 2 452 463 09 29 2022 02 07 2023 Copyright © 1997, Sakarya University Journal of Science 1997 Sakarya University Journal of Science

Organic compounds like 2,2’-Bithiophene (with a synonym. 2,2'-bithienyl, 2,2'-dithienyl)-containing bis(dioxaborin) 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/ 6-311++G (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.

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