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Title: A Sterically Biased Unsymmetrical Azobenzene Derivative: Synthesis, Molecular Structure, and 15N NMR Spectroscopic Analysis of (E)-1-(2,6-Diisopropylphenyl)-2-phenyldiazine

We synthesized and characterized the title compound, (E)-1-(2,6-diisopropylphenyl)-2-phenyldiazine (I) using a combination of 1H, 13C, and 15N NMR spectroscopy, infrared and UV/Vis spectroscopy, X-ray crystallography, and GC mass spectrometry. The solid-state structure is also reported. The unsymmetric azobenzene crystallizes in the space group P2 1/c with unit cell parameters a = 8.001(7) Å, b = 17.827(16) Å, c = 11.129(10) Å, β = 101.960(10)°, V = 1553(2) Å 3, Z = 4, D calc = 1.139 g/cm 3.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Report Number(s):
LA-UR-17-25868
Journal ID: ISSN 1074-1542
Grant/Contract Number:
AC52-06NA25396
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Crystallography
Additional Journal Information:
Journal Volume: 47; Journal Issue: 6; Journal ID: ISSN 1074-1542
Publisher:
Springer
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; signle crystal x-ray crystallography; 15N NMR; azobenzene; aniline; nitrosobenzene; mills reaction
OSTI Identifier:
1406230

Baumann, David O., Erickson, Karla A., Scott, Brian L., Michalczyk, Ryszard, Silks, III, Louis A., and Kiplinger, Jaqueline L.. A Sterically Biased Unsymmetrical Azobenzene Derivative: Synthesis, Molecular Structure, and 15N NMR Spectroscopic Analysis of (E)-1-(2,6-Diisopropylphenyl)-2-phenyldiazine. United States: N. p., Web. doi:10.1007/s10870-017-0700-4.
Baumann, David O., Erickson, Karla A., Scott, Brian L., Michalczyk, Ryszard, Silks, III, Louis A., & Kiplinger, Jaqueline L.. A Sterically Biased Unsymmetrical Azobenzene Derivative: Synthesis, Molecular Structure, and 15N NMR Spectroscopic Analysis of (E)-1-(2,6-Diisopropylphenyl)-2-phenyldiazine. United States. doi:10.1007/s10870-017-0700-4.
Baumann, David O., Erickson, Karla A., Scott, Brian L., Michalczyk, Ryszard, Silks, III, Louis A., and Kiplinger, Jaqueline L.. 2017. "A Sterically Biased Unsymmetrical Azobenzene Derivative: Synthesis, Molecular Structure, and 15N NMR Spectroscopic Analysis of (E)-1-(2,6-Diisopropylphenyl)-2-phenyldiazine". United States. doi:10.1007/s10870-017-0700-4. https://www.osti.gov/servlets/purl/1406230.
@article{osti_1406230,
title = {A Sterically Biased Unsymmetrical Azobenzene Derivative: Synthesis, Molecular Structure, and 15N NMR Spectroscopic Analysis of (E)-1-(2,6-Diisopropylphenyl)-2-phenyldiazine},
author = {Baumann, David O. and Erickson, Karla A. and Scott, Brian L. and Michalczyk, Ryszard and Silks, III, Louis A. and Kiplinger, Jaqueline L.},
abstractNote = {We synthesized and characterized the title compound, (E)-1-(2,6-diisopropylphenyl)-2-phenyldiazine (I) using a combination of 1H, 13C, and 15N NMR spectroscopy, infrared and UV/Vis spectroscopy, X-ray crystallography, and GC mass spectrometry. The solid-state structure is also reported. The unsymmetric azobenzene crystallizes in the space group P21/c with unit cell parameters a = 8.001(7) Å, b = 17.827(16) Å, c = 11.129(10) Å, β = 101.960(10)°, V = 1553(2) Å3, Z = 4, Dcalc = 1.139 g/cm3.},
doi = {10.1007/s10870-017-0700-4},
journal = {Journal of Chemical Crystallography},
number = 6,
volume = 47,
place = {United States},
year = {2017},
month = {10}
}