THE ELECTRONIC STRUCTURE OF $ScH^{++}, TiH^{++}, VH^{++}, CrH^{++}$, AND $MnH^{++}$
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Date
1998
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Publisher
Ohio State University
Abstract
We will discuss the electronic structure of the ground and low-lying excited states of the titled transition metal hydrides. Of these $ScH^{++}, TiH^{++}$, and $VH^{++}$, are thermodynamically stable while $CrH^{++}$, and $MnH^{++}$ are expected to be very long lived. While the charge distribution for each molecule is approximately $M^{+1.85} H^{+0.15}$ the nature of the bonding changes very rapidly from a conventional sigma bond in $ScH^{++}$. We will discuss trends in $D_{e}$, bond lengths and vibrational frequencies and will compare with the corresponding neutral and monopositive hydrides.
Description
Author Institution: Chemistry Department and Center for Fundamental Materials Research, Michigan State University