TY - JOUR
T1 - Anisotropy of the diamagnetic susceptibility of benzene. Determination by high-field deuterium NMR
AU - Bothner-By, A. A.
AU - Gayathri, C.
AU - Van Zijl, P. C.M.
AU - MaClean, C.
N1 - Funding Information:
Spectra were obtained at the NMR Facility for Biomedical Studies, supported by National Institutes of Health Grant RR 00292. A.A.B. and C.G. thank the National Science Foundation for support of this research under Grant CHE 820628 1. The present investigations have been partly carried out under auspices of the Netherlands Foundation for Chemical Research (SON) and with financial aid from the Netherlands Organization for the Advancement of Pure Research (ZWO). All participants are grateful for a NATO travel grant which has facilitated collaboration.
PY - 1984/2/15
Y1 - 1984/2/15
N2 - A doublet due to quadrupole splitting cannot be detected in the deuterium NMR spectrum of perdeuterobenzene at 141 kG, whether neat, in dilute solution, or in the gas phase. However, the proton-decoupled spectrum of monodeuterobenzene at 296 K consists of a doublet with spacing of 0.50 Hz at 1 mol% concentration in acetone-d6, decreasing to 0.42 Hz at 80 mol% concentration. The observed splitting provides a value for the anisotropy of the diamagnetic susceptibility of -1.11 :K 10-28 emu/molecule at I% concentration and -0.93 × 10-28 emu/molecule at 80% concentration, where transient dimers may be formed. The difficulty with perdeuterobenzene is traced to the effect of the scalar spin-spin coupling between deuterons.
AB - A doublet due to quadrupole splitting cannot be detected in the deuterium NMR spectrum of perdeuterobenzene at 141 kG, whether neat, in dilute solution, or in the gas phase. However, the proton-decoupled spectrum of monodeuterobenzene at 296 K consists of a doublet with spacing of 0.50 Hz at 1 mol% concentration in acetone-d6, decreasing to 0.42 Hz at 80 mol% concentration. The observed splitting provides a value for the anisotropy of the diamagnetic susceptibility of -1.11 :K 10-28 emu/molecule at I% concentration and -0.93 × 10-28 emu/molecule at 80% concentration, where transient dimers may be formed. The difficulty with perdeuterobenzene is traced to the effect of the scalar spin-spin coupling between deuterons.
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U2 - 10.1016/0022-2364(84)90309-3
DO - 10.1016/0022-2364(84)90309-3
M3 - Article
AN - SCOPUS:0001085692
VL - 56
SP - 456
EP - 462
JO - Journal of Magnetic Resonance (1969)
JF - Journal of Magnetic Resonance (1969)
SN - 0022-2364
IS - 3
ER -