¹³C and ²⁷Al NMR Relaxation Studies of an Acidic Chloroaluminate Melt

Article type: Research Article

Authors: Robert Carper, W. | Keller, Charles E. | Evangelos, Nantsis A. | Zandler, Melvin E.

Affiliations: Department of Chemistry, Wichita State University, Wichita, Kansas 67260-0051

Note: [] Corresponding author.

Abstract: The microdynamics of a 2:1 A1C13-1-ethyl-3-methylimidazoliumc chloride (MEICI) room-temperature melt are studied using 13C and 27Al NMR relaxation methods. The 13C and 27Al NMR correlation times for MEI+ and A12CI7− are compared with viscosity measurements corrected for temperature. The Dual Spin Probe (DSP) method is used to calculate an 27Al nuclear quadrupole coupling constant (χ) of 4.86 MHZ for A12C17− in the 2:1 melt. Theoretical (ab initio-gas phase) calculations at the HF/3–21 G(d) and HF/6–31 (d) levels yield 27Al nuclear quadrupole coupling constants of 8.015 and 11.211 MHZ for A12Cl7−. Finally, a linear relationship between 27Al correlation times of A12C17− and reciprocal conductivity is reported.

DOI: 10.1080/13583149612331338495

Journal: Main Group Chemistry, vol. 1, no. 2, pp. 257-263, 1996