Vibrational characterization of the 1:1 iodine-benzene complex isolated in solid krypton.
The structure and properties of a 1:1 iodine-benzene complex isolated in an inert krypton matrix at low temperature have been studied with infrared and resonance Raman spectroscopy and with MP2 calculations. The structure of the ground-state complex is found to be unsymmetric, and the I-I vibrational frequency is found to be red-shifted by 3.94 cm(-1) upon complexation. The experimental data agree well with computational results, leading to the conclusion that the I2-Bz complex structure is not axial but of above-bond type, identically with other halogen-benzene complexes.
Kiviniemi
Tiina
T
Hulkko
Eero
E
Kiljunen
Toni
T
Pettersson
Mika
M