Conformation of dimethoxymethane: roles of anomeric effects and weak hydrogen bonds. A free jet microwave study

Literature Information

Publication Date 2003-09-30
DOI 10.1039/B308197D
Impact Factor 3.676
Authors

Laura B. Favero, Walther Caminati, Biagio Velino


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Abstract

The rotational spectrum of dimethoxymethane has been measured by free jet millimetre-wave absorption spectroscopy. It corresponds to a distorted, but C2 symmetric, configuration with the two methyl groups gauche with respect to the far oxygen atom. Each rotational transition is split into several, allowed and forbidden, component lines due to the two methyl groups internal rotations. The corresponding V3 barrier has been determined to be 1.58 kcal mol−1. The “distorted” shape is attributable to the anomeric effect, but also to intramolecular weak C–H⋯O hydrogen bonds.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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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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