Hypervalent Carbon Atom: “Freezing” the SN2 Transition State†
Simon C. A. H. Pierrefixe Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorSebastiaan J. M. van Stralen
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorJoost N. P. van Stralen Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorCélia Fonseca Guerra Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorF. Matthias Bickelhaupt Prof. Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorSimon C. A. H. Pierrefixe Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorSebastiaan J. M. van Stralen
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorJoost N. P. van Stralen Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorCélia Fonseca Guerra Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorF. Matthias Bickelhaupt Prof. Dr.
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam (The Netherlands), Fax: (+31) 20-5987-629
Search for more papers by this authorWe thank the National Research School Combination for Catalysis (NRSC-C) and the Netherlands Organization for Scientific Research (NWO-CW and NWO-NCF) for financial support.
Graphical Abstract
High Five! Under certain circumstances a carbon atom can become hypervalent (see structure) and bind five substituents in the trigonal-bipyramidal structure, which is normally the labile SN2 transition state.
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