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Journals / Celal Bayar Üniversitesi Fen Bilimleri Dergisi / 2019 / Cilt: 15 - Sayı: 1

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

Akif ÖZBAY
Aysun GÖZÜTOK
Pages
119–123
Publication Date
2019-03-22
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

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.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:This paper contains the molecular parameters, vibrational properties and some theoretical calculations of 1,8-diaminooctane.
📊
Key Findings & Data: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.
💡
Conclusion & Impact: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.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:8-diaminooctane · density functional theory · theoretical calculations

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.

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Cite This Article

ÖZBAY, A., GÖZÜTOK, A. (2019). Combined Vibrational Spectroscopic and Quantum Chemical Investigations of 1,8-diaminooctane. Celal Bayar Üniversitesi Fen Bilimleri Dergisi, Cilt: 15 - Sayı: 1, 119–123. https://ajindex.com/articles/100262

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