Can an eight π-electron bare ring be planar?

Literature Information

Publication Date 2011-09-09
DOI 10.1039/C1CP22415H
Impact Factor 3.676
Authors

Gerardo Martinez-Guajardo, Zeferino Gómez-Saldoval, Daniel F. Jana, Patrizia Calaminici, Clemence Corminboeuf


View Original

Abstract

Here we explore in silico an alternative to make planar eight π-electron bare ring systems with substitutions of some cyclooctatetraene ring carbon atoms by heavier group 14 elements. We found that the most stable eight membered rings with formulae C4Si4H8, C4Ge4H8, and C4Sn4H8 have a perfect planar structure, enhancing delocalization energy as compared to cot.

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Source Journal

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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