High-pressure NMR study of transport and relaxation in complex liquid of 2-ethylhexyl cyclohexanecarboxylate and 2-ethylhexyl benzoate

Jonáš, J.; Adamy, S. T.; Grandinetti, Philip J.; Masuda, Yuichi; Morris, Stephen; Campbell, Douglas M.; Li, Y.

doi:10.1021/j100366a029

Cited by 32 publications

(18 citation statements)

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“…Further details of the synthesis were given previously. 3 Proton decoupled carbon-13 spectra were obtained at 45.286 MHz using a homebuilt spectrometer interfaced to a General Electric 293D programmable pulser and a Nicolet 1280 computer. Details of the spectrometer, probe, and experimental procedure were discussed previously.3 The measurements of T, values are estimated to have an accuracy of f 10%.…”

Section: Introductionmentioning

confidence: 99%

High-pressure nuclear-magnetic-resonance study of carbon-13 relaxation in 2-ethylhexyl benzoate and 2-ethylhexyl cyclohexanecarboxylate

Adamy

Grandinetti

Masuda

et al. 1991

The Journal of Chemical Physics

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Natural abundance carbon-13 spin-lattice relaxation times and 13G-'H nuclear Overhauser enhancement (NOE) times of 2-ethyl hexylbenzoate (EHB) and 2-ethyl hexylcyclohexanecarboxylate (EHC) have been measured along isotherms of-20,0,20,4.0, and 80 "C at pressures of l-5000 bars using high-pressure, high-resolution NMR techniques. The ability to use pressure as an experimental variable has allowed us to study a wide range of molecular motions from extreme narrowing into the slow motional regime. In addition, the high-resolution capability even at high pressure permits the measurement of 13C and NOE for each individual carbon in the molecules studied. Relaxation in both molecules is successfully analyzed in terms of a model assuming a Cole-Davidson distribution of correlation times. The comparison of parameters used in the model demonstrates the increased flexibility of the EHC ring over the EHB ring and also shows how the presence of the flexible ring contributes to the increased overall mobility of the EHC molecule. The analysis of molecular reorientations in terms of activation volumes also indicates that EHB motion is highly restricted at low temperature.

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Section: Introductionmentioning

confidence: 99%

High-pressure nuclear-magnetic-resonance study of carbon-13 relaxation in 2-ethylhexyl benzoate and 2-ethylhexyl cyclohexanecarboxylate

Adamy

Grandinetti

Masuda

et al. 1991

The Journal of Chemical Physics

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“…It is well known that the viscosities of liquids increase under pressure (from atmospheric to higher pressure) at a given temperature. [303,305,306,310,[327][328][329][330][331][332][333][334][335] In addition, the use of high pressure makes it possible to extend the measurement temperature well above the boiling point and below the freezing point. [305,306] However, pressure as an experimental variable in NMR studies, in particular for protein folding investigations, involves some unusual NMR instrumentation.…”

Section: Viscous Solvents Under High Pressurementioning

confidence: 99%

Tailoring the nuclear Overhauser effect for the study of small and medium-sized molecules by solvent viscosity manipulation

Lameiras

2021

Progress in Nuclear Magnetic Resonance Spectroscopy

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The nuclear Overhauser effect (NOE) is a consequence of cross-relaxation between nuclear spins mediated by dipolar coupling. Its sensitivity to internuclear distances has made it an increasingly important tool for the determination of throughspace atom proximity relationships within molecules of sizes ranging from the smallest systems to large biopolymers. With the support of sophisticated FT-NMR techniques, the NOE plays an essential role in structure elucidation, conformational and dynamic investigations in liquid-state NMR. The efficiency of magnetization transfer by the NOE depends on the molecular rotational correlation time, whose value depends on solution viscosity. The magnitude of the NOE between 1 H nuclei varies from +50 % when molecular tumbling is fast to -100% when it is slow, the latter case corresponding to the spin diffusion limit.In an intermediate tumbling regime, the NOE may be vanishingly small. Increasing the viscosity of the solution increases the motional correlation time, and as a result, otherwise unobservable NOEs may be revealed and brought close to the spin diffusion limit. The goal of this review is to report the resolution of structural problems that benefited from the manipulation of the negative NOE by means of viscous solvents, including examples of molecular structure determination, conformation elucidation and mixture analysis (the ViscY method).3.7. Overview of advantages/disadvantages of viscous solvents in molecule mixture analysis 68 Conclusion 71Acknowledgements References 71Glossary 82

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“…Two rather more complex molecules similar to the monosubstituted benzenes, 2-ethylhexyi benzoate (EHB) and 2-ethyihexyl cyclohexanecarboxylate (EHC), have been investigated by Jonas et al (423) and Adamy et al (424) with HP-NMR techniques. Natural abundance ~ac spin-lattice relaxation times and nuclear Overhauser enhancement (NOE) factors have been measured at temperatures 253 K ~< T< 353 K and pressures p ~< 500 MPa.…”

Section: -mentioning

confidence: 99%

Density dependence of rotational and translational molecular dynamics in liquids studied by high pressure NMR

Lang

Lüdemann

1993

Progress in Nuclear Magnetic Resonance Spectroscopy

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High-pressure NMR study of transport and relaxation in complex liquid of 2-ethylhexyl cyclohexanecarboxylate and 2-ethylhexyl benzoate

Cited by 32 publications

References 1 publication

High-pressure nuclear-magnetic-resonance study of carbon-13 relaxation in 2-ethylhexyl benzoate and 2-ethylhexyl cyclohexanecarboxylate

High-pressure nuclear-magnetic-resonance study of carbon-13 relaxation in 2-ethylhexyl benzoate and 2-ethylhexyl cyclohexanecarboxylate

Tailoring the nuclear Overhauser effect for the study of small and medium-sized molecules by solvent viscosity manipulation

Density dependence of rotational and translational molecular dynamics in liquids studied by high pressure NMR

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