ArticleProceedings of the National Academy of Sciences of the United States of America2014
Testing for memory-free spectroscopic coordinates by 3D IR exchange spectroscopy.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed.
- Migration of small ligands in globins: Xe diffusion in truncated hemoglobin N.PLoS computational biology · 2017Article
- Direct observation of multistep energy transfer in LHCII with fifth-order 3D electronic spectroscopy.Nature communications · 2015Article
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3 authors.
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Abstract
Using 3D infrared (IR) exchange spectroscopy, the ultrafast hydrogen-bond forming and breaking (i.e., complexation) kinetics of phenol to benzene in a benzene/CCl4 mixture is investigated. By introducing a third time point at which the hydrogen-bonding state of phenol is measured (in comparison with 2D IR exchange spectroscopy), the spectroscopic method can serve as a critical test of whether the spectroscopic coordinate used to observe the exchange process is a memory-free, or Markovian, coordinate. For the system under investigation, the 3D IR results suggest that this is not the case. This conclusion is reconfirmed by accompanying molecular dynamics simulations, which furthermore reveal that the non-Markovian kinetics is caused by the heterogeneous structure of the mixed solvent.
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