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Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane
2019
Journal:  
Celal Bayar Üniversitesi Fen Bilimleri Dergisi
Author:  
DOI:  
10.18466/cbayarfbe.492861
Abstract:

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.

Keywords:

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2019
Journal:  
Celal Bayar Üniversitesi Fen Bilimleri Dergisi
Author:  
DOI:  
10.18466/cbayarfbe.492861
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Celal Bayar Üniversitesi Fen Bilimleri Dergisi

Field :   Fen Bilimleri ve Matematik; Mühendislik

Journal Type :   Uluslararası

Metrics
Article : 762
Cite : 730
2023 Impact : 0.029
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Celal Bayar Üniversitesi Fen Bilimleri Dergisi