Year 2019, Volume 15, Issue 1, Pages 119 - 123 2019-03-22

Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane

Akif Özbay [1] , Aysun Gözütok [2]

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This paper contains the molecular parameters, vibrational properties and some theoretical calculations of 1,8-diaminooctane. Bond angles, bond lengths, vibrational properties, dipole moments, frontier molecular orbitals and molecular electrostatic potential of 1,8-diaminooctane were performed with using density functional theory calculations with B3LYP/6-311++G(d,p) level of theory. Vibrational properties were interpreted with the by using scaled quantum mechanical force field. This study enables us to figure out the vibrational and structural properties and some electronic properties of the 1,8-diaminooctane by means of the theoretical and experimental studied methods.

1, 8-diaminooctane, density functional theory, theoretical calculations, molecular electrostatic potential
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Primary Language en
Subjects Engineering
Published Date 21-03-2019
Journal Section Articles
Authors

Author: Akif Özbay
Country: Turkey


Author: Aysun Gözütok
Institution: Selçuk University
Country: Turkey


Bibtex @research article { cbayarfbe492861, journal = {Celal Bayar University Journal of Science}, issn = {1305-130X}, eissn = {1305-1385}, address = {Celal Bayar University}, year = {2019}, volume = {15}, pages = {119 - 123}, doi = {10.18466/cbayarfbe.492861}, title = {Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane}, key = {cite}, author = {Özbay, Akif and Gözütok, Aysun} }
APA Özbay, A , Gözütok, A . (2019). Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane. Celal Bayar University Journal of Science, 15 (1), 119-123. DOI: 10.18466/cbayarfbe.492861
MLA Özbay, A , Gözütok, A . "Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane". Celal Bayar University Journal of Science 15 (2019): 119-123 <http://dergipark.org.tr/cbayarfbe/issue/44005/492861>
Chicago Özbay, A , Gözütok, A . "Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane". Celal Bayar University Journal of Science 15 (2019): 119-123
RIS TY - JOUR T1 - Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane AU - Akif Özbay , Aysun Gözütok Y1 - 2019 PY - 2019 N1 - doi: 10.18466/cbayarfbe.492861 DO - 10.18466/cbayarfbe.492861 T2 - Celal Bayar University Journal of Science JF - Journal JO - JOR SP - 119 EP - 123 VL - 15 IS - 1 SN - 1305-130X-1305-1385 M3 - doi: 10.18466/cbayarfbe.492861 UR - https://doi.org/10.18466/cbayarfbe.492861 Y2 - 2019 ER -
EndNote %0 Celal Bayar University Journal of Science Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane %A Akif Özbay , Aysun Gözütok %T Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane %D 2019 %J Celal Bayar University Journal of Science %P 1305-130X-1305-1385 %V 15 %N 1 %R doi: 10.18466/cbayarfbe.492861 %U 10.18466/cbayarfbe.492861
ISNAD Özbay, Akif , Gözütok, Aysun . "Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane". Celal Bayar University Journal of Science 15 / 1 (March 2019): 119-123. https://doi.org/10.18466/cbayarfbe.492861