Pyridine–acetaldehyde, a molecular balance to explore the n→π* interaction

Literature Information

Publication Date 2019-09-06
DOI 10.1039/C9CP04088A
Impact Factor 3.676
Authors

Susana Blanco, Alberto Macario, Juan Carlos López


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Abstract

The complex pyridine–acetaldehyde is formed through an n→π* interaction and a C–H⋯O contact. The acetaldehyde methyl group internal rotation induces a phase-locked intermolecular oscillation along the Bürgi–Dunitz coordinate. Surprisingly, this sort of molecular balance extracts energy through the n→π* interaction to reduce the size of the internal rotation barrier.

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Inside front cover

Cover

DOI: 10.1039/C5CP90205C

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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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