Structural, Vibrational and Hyperpolarizability Calculation of (E)-2-(2-Hydroxybenzylideneamino)-3-Methylbutanoic Acid

Basit Öğe Kaydı
dc.contributor.authorSubashchandrabose, S.
dc.contributor.authorSaleem, H.
dc.contributor.authorErdoğdu, Y.
dc.contributor.authorDereli, Ö.
dc.contributor.authorThanikachalam, V.
dc.contributor.authorJayabharathi, J.
dc.date.accessioned2020-03-26T18:31:24Z
dc.date.available2020-03-26T18:31:24Z
dc.date.issued2012
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractThe (E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid (E)-2HBAMBA was synthesized. The FT-IR, FT-Raman and UV-vis spectra have been recorded and characterized. Theoretical wavenumbers along with IR and Raman intensities were calculated using B3LYP/6-31G(d,p) level and total energy distribution (TED) of the various normal mode of vibrations were also studied. The conformational analysis was performed for a stable conformer by selecting the dihedral angles and the optimized bond parameters were calculated for the stable structure. Effect of intramolecular interactions is calculated by changing the orientation of hydroxyl hydrogen. To know the charge transfer while changing the hydroxyl group hydrogen orientation, the NBO analysis was performed. Using the same level of calculation, the electronic charge transfers were calculated and compared.en_US
dc.identifier.citationSubashchandrabose, S., Saleem, H., Erdoğdu, Y., Dereli, Ö., Thanikachalam, V., Jayabharathi, J., (2012). Structural, Vibrational and Hyperpolarizability Calculation of (E)-2-(2-Hydroxybenzylideneamino)-3-Methylbutanoic Acid. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 86, 231-241. Doi: 10.1016/j.saa.2011.10.029
dc.identifier.doi10.1016/j.saa.2011.10.029en_US
dc.identifier.endpage241en_US
dc.identifier.issn1386-1425en_US
dc.identifier.pmid22070995en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage231en_US
dc.identifier.urihttps://dx.doi.org/10.1016/j.saa.2011.10.029
dc.identifier.urihttps://hdl.handle.net/20.500.12395/28429
dc.identifier.volume86en_US
dc.identifier.wosWOS:000300515500034en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorDereli, Ö.
dc.language.isoenen_US
dc.publisherPERGAMON-ELSEVIER SCIENCE LTDen_US
dc.relation.ispartofSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectFT-Ramanen_US
dc.subjectFT-IRen_US
dc.subjectTEDen_US
dc.subjectNBOen_US
dc.subjectLeucineen_US
dc.titleStructural, Vibrational and Hyperpolarizability Calculation of (E)-2-(2-Hydroxybenzylideneamino)-3-Methylbutanoic Aciden_US
dc.typeArticleen_US

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
28429.pdf
Boyut:
1.14 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Makale Dosyası
İndir

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Fizik/Makale Koleksiyonu
PubMed İndeksli Yayın Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu