Research Topic

New Synthetic Strategies and Design of Transition Metal Complexes for Catalytic Applications

About this Research Topic

Catalysts, in particular transition metal-based catalysts, play an important role in many chemical transformations, leading to useful building blocks that afford a wide range of products. An efficient catalyst is expected to be active, selective, robust, and stable. In the past, progress in catalyst development depended essentially on empirical work, which is incredibly time-consuming. Nowadays, the availability of tools enabling insight into the mechanisms of catalytic reactions allows for the rational design and development of transition-metal complexes that can act as innovative catalytic systems. There is a constant need to identify and investigate the most robust, efficient, and selective catalysts using if possible, environment-friendly synthetic methodologies.

The aim of this Research Topic is to tackle the design of suitable strategies, by combining experimental and computational knowledge, in order to obtain molecules that can act as successful homogeneous, heterogenous or supported catalysts. Envisaged catalytic reactions include polymerization, oxidation of alcohols and alkanes, sulfoxidation, epoxidation of alkenes, etc. Environment-friendly synthetic approaches such as mechanochemistry and microwave assisted reactions, advanced structural elucidation of materials, kinetic and mechanistic studies, and future perspectives are also welcome.

The focus of this Research Topic with Frontiers in Chemistry is to compile Original Research and Review articles on the very latest advances in this field. Areas to be covered may include, but are not limited to:

 • Advanced strategies for transition metal catalyst design
 • Novel catalyst synthetic methodologies, and advanced structural elucidations
 • Homogeneous, heterogeneous, and supported catalytic applications
 • Experimental results leading to understanding of reaction kinetics and reaction mechanisms
 • Theoretical calculations for catalytic reaction mechanism elucidation or improvement of catalyst design


Keywords: transition metal complexes, innovative synthetic methodologies, rational design, homo-/heterogeneous catalysis, DFT calculations


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

Catalysts, in particular transition metal-based catalysts, play an important role in many chemical transformations, leading to useful building blocks that afford a wide range of products. An efficient catalyst is expected to be active, selective, robust, and stable. In the past, progress in catalyst development depended essentially on empirical work, which is incredibly time-consuming. Nowadays, the availability of tools enabling insight into the mechanisms of catalytic reactions allows for the rational design and development of transition-metal complexes that can act as innovative catalytic systems. There is a constant need to identify and investigate the most robust, efficient, and selective catalysts using if possible, environment-friendly synthetic methodologies.

The aim of this Research Topic is to tackle the design of suitable strategies, by combining experimental and computational knowledge, in order to obtain molecules that can act as successful homogeneous, heterogenous or supported catalysts. Envisaged catalytic reactions include polymerization, oxidation of alcohols and alkanes, sulfoxidation, epoxidation of alkenes, etc. Environment-friendly synthetic approaches such as mechanochemistry and microwave assisted reactions, advanced structural elucidation of materials, kinetic and mechanistic studies, and future perspectives are also welcome.

The focus of this Research Topic with Frontiers in Chemistry is to compile Original Research and Review articles on the very latest advances in this field. Areas to be covered may include, but are not limited to:

 • Advanced strategies for transition metal catalyst design
 • Novel catalyst synthetic methodologies, and advanced structural elucidations
 • Homogeneous, heterogeneous, and supported catalytic applications
 • Experimental results leading to understanding of reaction kinetics and reaction mechanisms
 • Theoretical calculations for catalytic reaction mechanism elucidation or improvement of catalyst design


Keywords: transition metal complexes, innovative synthetic methodologies, rational design, homo-/heterogeneous catalysis, DFT calculations


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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Submission Deadlines

17 January 2021 Abstract
26 April 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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Topic Editors

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Submission Deadlines

17 January 2021 Abstract
26 April 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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