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A Normal Coordinate Treatment of IF6SbF6

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Abstract:

The adduct between IF 7 and AsF 5 has been shown to be ionic and consist of IF6 + and AsF6 ions. The environment of these ions appears to be octahedral. Based on this symmetry, force constants have been determined. Some controversy regarding the frequency position of the ν4 (F 1u ) vibration, and the assignment for the ν1 (A 1g ), ν2 (E g) vibrations in IF 6 + has existed. However, the proper ν4 assignment was eventually made, and Raman studies of IF 6 + AsF 6 in HF solutions clearly indicated that the lower frequency band at 711 cm−1 was polarized. Thus, the depolarized 732 cm−1 vibration was assigned as the ν2 (Eg) mode. Recently, IF 6 + SbF 6 has been prepared and the vibration spectrum analyzed. The results support previous assignments of Christe and Sawodny and verify the ν4 assignment.

Keywords: Force fields; IF6SbF6; Normal coordinate treatment; Potential constants

Document Type: Short Communication

DOI: http://dx.doi.org/10.1366/000370275774456085

Affiliations: 1: Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 2: Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439; present address: Allied Chemical Corp., 550 Second St., Idaho Falls, Idaho 83401

Publication date: May 1, 1975

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