6533b874fe1ef96bd12d625a

RESEARCH PRODUCT

Vibrational characterization of the 1:1 iodine-benzene complex isolated in solid krypton.

Mika PetterssonToni KiljunenEero HulkkoTiina Kiviniemi

subject

Matrix (chemical analysis)chemistry.chemical_compoundchemistryInfraredMolecular vibrationKryptonResonance Raman spectroscopyAnalytical chemistrychemistry.chemical_elementPhysical and Theoretical ChemistryIodineBenzeneCharacterization (materials science)

description

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.

10.1021/jp801980khttps://pubmed.ncbi.nlm.nih.gov/18489172