Bond length of perchlorate at different temperatures: X-ray and neutron comparison.

Bond length of perchlorate at different temperatures: X-ray and neutron comparison.

Olmstead, Marilyn M;
acta crystallographica section c, structural chemistry 2020 Vol. 76 pp. 159-163
216
olmstead2020bondacta

Abstract

The averages (average deviations from the mean are given in square brackets) of uncorrected Cl-O bond distances in a perchlorate anion from an X-ray diffraction analysis of (N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate, [Mn(CHNO)(NO)]ClO·2CHCN or [Mn(PaPy)(NO)]ClO·2CHCN, decrease from 1.447 [4] Å at 10 K to 1.428 [4] Å at 170 K. The 10 K value is close to the neutron value (1.441 [1] Å) at 18 K. Comparisons are made with a second X-ray study at 30 K [1.444 (8) Å] and to libration-corrected, density functional theory (DFT), and Cambridge Structural Database (CSD) values.

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