Theoretical Study of Pseudorotation of Pentacoordinated Silicon Anions: SiH5-nXn- (X = F, Cl)

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1994-04-01
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Davis, Larry
Burggraf, Larry
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Windus, Theresa
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Chemistry

The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).

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The Department of Chemistry was founded in 1880.

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A thorough ab initio investigation of the pseudorotation of the pentacoordinated silicon anions SiHs...Xn- (X = F, Cl; n = 0-5) is reported. The minima and maxima of each of the systems under consideration are characterized and intrinsic reaction coordinate (IRC) calculations are performed to connect the maxima with corresponding minima. These systems are compared to the Berry pseudorotation mechanism and earlier calculations on these systems.

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This article is from Journal of the American Chemical Society 116 (1994): 3568. doi:10.1021/ja00087a050.

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