Synthesis, Characterization and DFT Study of 1-Bromo-4-(3,7-dimethyloctyl)benzene

Chananate Uthaisar; Bradley D Fahlman; Veronica Barone; Siddappa A Patil

Synthesis, Characterization and DFT Study of 1-Bromo-4-(3,7-dimethyloctyl)benzene

Chananate Uthaisar, Bradley D Fahlman, Veronica Barone, Siddappa A Patil

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Abstract

In this paper, we present the synthesis, characterization, and ab initio calculations of 1-bromo-4-(3,7-dimethyloctyl)benzene. This compound is a precursor for the bottom-up synthesis of planar one-dimensional graphene nanoribbons with controlled edge morphology and narrow widths. We discuss the synthetic procedures and characterization using ¹H NMR, ¹³C NMR, IR spectroscopy, and elemental analysis. These results are complemented by density functional theory (DFT) calculations of the optimized structure, as well as calculated IR and NMR spectra for this compound.

Original language	English
Journal	Journal of Molecular Structure
State	Accepted/In press - 2012

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@article{7db799cd78c242c49c88fead8e6203bf,

title = "Synthesis, Characterization and DFT Study of 1-Bromo-4-(3,7-dimethyloctyl)benzene",

abstract = "In this paper, we present the synthesis, characterization, and ab initio calculations of 1-bromo-4-(3,7-dimethyloctyl)benzene. This compound is a precursor for the bottom-up synthesis of planar one-dimensional graphene nanoribbons with controlled edge morphology and narrow widths. We discuss the synthetic procedures and characterization using 1H NMR, 13C NMR, IR spectroscopy, and elemental analysis. These results are complemented by density functional theory (DFT) calculations of the optimized structure, as well as calculated IR and NMR spectra for this compound.",

author = "Chananate Uthaisar and Fahlman, {Bradley D} and Veronica Barone and Patil, {Siddappa A}",

note = "Funding Information: This work has been funded by TARDEC/ARO under Subcontract Agreement TCN09227. UNCLASSIFIED: Distribution Statement A. Approved for public release. ",

year = "2012",

language = "English",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Journal of Molecular Structure",

}

TY - JOUR

T1 - Synthesis, Characterization and DFT Study of 1-Bromo-4-(3,7-dimethyloctyl)benzene

AU - Uthaisar, Chananate

AU - Fahlman, Bradley D

AU - Barone, Veronica

AU - Patil, Siddappa A

N1 - Funding Information: This work has been funded by TARDEC/ARO under Subcontract Agreement TCN09227. UNCLASSIFIED: Distribution Statement A. Approved for public release.

PY - 2012

Y1 - 2012

N2 - In this paper, we present the synthesis, characterization, and ab initio calculations of 1-bromo-4-(3,7-dimethyloctyl)benzene. This compound is a precursor for the bottom-up synthesis of planar one-dimensional graphene nanoribbons with controlled edge morphology and narrow widths. We discuss the synthetic procedures and characterization using 1H NMR, 13C NMR, IR spectroscopy, and elemental analysis. These results are complemented by density functional theory (DFT) calculations of the optimized structure, as well as calculated IR and NMR spectra for this compound.

AB - In this paper, we present the synthesis, characterization, and ab initio calculations of 1-bromo-4-(3,7-dimethyloctyl)benzene. This compound is a precursor for the bottom-up synthesis of planar one-dimensional graphene nanoribbons with controlled edge morphology and narrow widths. We discuss the synthetic procedures and characterization using 1H NMR, 13C NMR, IR spectroscopy, and elemental analysis. These results are complemented by density functional theory (DFT) calculations of the optimized structure, as well as calculated IR and NMR spectra for this compound.

M3 - Article

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

Synthesis, Characterization and DFT Study of 1-Bromo-4-(3,7-dimethyloctyl)benzene

Abstract

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