The Absorption Spectrum of Anisole and the Anisole/CO2 1:1-Cluster. The Influence of Intermolecular Interaction on Intramolecular Vibrations
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A. S. Gemechu
Abstract
The S1(1B2) ← S0(1A1) electronic transition of anisole and the anisole/CO2 aggregate cooled in a supersonic free jet has been investigated in detail using REMPI spectroscopy and quantumchemical model calculations. The 42 intramolecular modes of anisole in the 1S1 state are assigned. Some previous assignments of modes of anisole in the 1S1 state have been improved, some of the assignments are still tentative. The origin of the corresponding electronic transition in the 1:1-aggregate is blueshifted by 117cm−1 versus the 0-0 transition of anisole, the origine in the 1:2-agreggate is redshifted by 216cm−1. Probably a second conformer of the 1:1-aggregate is formed in the molecular beam. 36 fundamental modes of the anisole/CO2 1:1-cluster out of possible 46 intramolecular modes are assigned. Spectral shifts of the fundamental modes in the 1S1 state of anisole/CO2 due to the aggregation have been observed. The intermolecular modes and their binary combinations with intramolecular modes have been analyzed.
© 2004 Oldenbourg Wissenschaftsverlag GmbH
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Artikel in diesem Heft
- EXAFS Spectroscopy – Fundamentals, Measurement Techniques, Data Evaluation and Applications in the Field of Phthalocyanines
- Kinetic Hydrogen/Deuterium Isotope Effects in Multiple Proton Transfer Reactions
- Nanomaterials as Flow Regulators in Dry Powders
- Scanning Electrochemical Microscopy as a Versatile Tool for Modifying Surfaces
- The Absorption Spectrum of Anisole and the Anisole/CO2 1:1-Cluster. The Influence of Intermolecular Interaction on Intramolecular Vibrations
- The Kinetics and Quantum Dynamics of Intramolecular Rearrangements in Highly Symmetrical Complexes: The Berry Pseudorotation
- High Time Resolution Multifrequency EPR of Radical Pair Intermediates in Photosynthetic Reaction Centers: Structure Determination on a Nanosecond Time Scale
- Book Reviews
