title: Vibrational characterization of the 1:1 iodine-benzene complex isolated in solid krypton.
abstract: 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.
authors.forename: Tiina
authors.initials: T
authors.lastname: Kiviniemi
authors.forename: Eero
authors.initials: E
authors.lastname: Hulkko
authors.forename: Toni
authors.initials: T
authors.lastname: Kiljunen
authors.forename: Mika
authors.initials: M
authors.lastname: Pettersson