  We investigate a reaction of boron trichloride (BCl3) with iron(III)
hydroxide (Fe(OH)3) by ab initio quantum chemical calculation as a simple model
for a reaction of iron impurities in BCl3 gas. We also examine a reaction with
water. We find that compounds such as Fe(Cl)(OBCl2)2(OHBCl2) and
Fe(Cl)2(OBCl2)(OHBCl2) are formed while producing HCl and reaction paths to
them are revealed. We also analyze the stabilization mechanism of these paths
using newly-developed interaction energy density derived from electronic stress
tensor in the framework of the Regional DFT (Density Functional Theory) and
Rigged QED (Quantum ElectroDynamics).
