pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction

Literature Information

Publication Date 2010-06-16
DOI 10.1039/B924549A
Impact Factor 3.676
Authors

Guang-Jiu Zhao, Ke-Li Han


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Abstract

In this work, a new model compound, the twisted intramolecular charge transfer (TICT) excited state of Milrinone (MIR), has been theoretically presented. MIR exists in different tautomeric and ionic forms in aqueous solution with different pH values. The TICT excited state properties for various forms of MIR are demonstrated to be significantly different and controlled by the pH values of MIR in aqueous solution.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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