TY - JOUR
T1 - Synthesis, characterization and DFT study of 1-bromo-4-(3,7-dimethyloctyl) benzene
AU - Patil, Siddappa A.
AU - Uthaisar, Chananate
AU - Barone, Veronica
AU - Fahlman, Bradley D.
N1 - Funding Information:
This work has been funded by TARDEC/ARO under Subcontract Agreement TCN09227. UNCLASSIFIED: Distribution Statement A. Approved for public release.
PY - 2012/5/16
Y1 - 2012/5/16
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.
KW - 1-Bromo-4-(3,7-dimethyloctyl)benzene
KW - 1-Trimethylsilyl-4-(3,7-dimethyloctyl)benzene
KW - DFT
KW - GIAO
KW - Garphene nanoribbons
KW - NMR
UR - http://www.scopus.com/inward/record.url?scp=84859906972&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2012.02.025
DO - 10.1016/j.molstruc.2012.02.025
M3 - Article
AN - SCOPUS:84859906972
SN - 0022-2860
VL - 1015
SP - 41
EP - 45
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
ER -