A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

Lucas de Azevedo Santos; Stephanie C.C. van der Lubbe; Trevor A. Hamlin; Teodorico C. Ramalho; F. Matthias Bickelhaupt

doi:10.1002/open.202100066

A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

Lucas de Azevedo Santos
, Stephanie C.C. van der Lubbe
, Trevor A. Hamlin
, Teodorico C. Ramalho
, F. Matthias Bickelhaupt

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Invited for this month's cover are the groups of Prof. Dr. Teodorico C. Ramalho (Federal University of Lavras and University Hradec Kralove) and Prof. Dr. F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam and Radboud University). The cover picture shows the key message of their work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D2 Ch and the bond acceptor A- , and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO-LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is presented. Read the full text of their Full Paper at 10.1002/open.202000323.

Original language	English
Pages (from-to)	390
Number of pages	1
Journal	ChemistryOpen
Volume	10
Issue number	4
DOIs	https://doi.org/10.1002/open.202100066
Publication status	Published - 1 Apr 2021
Externally published	Yes

ASJC Scopus subject areas

General Chemistry

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10.1002/open.202100066

Cite this

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title = "A Quantitative Molecular Orbital Perspective of the Chalcogen Bond",

abstract = "Invited for this month's cover are the groups of Prof. Dr. Teodorico C. Ramalho (Federal University of Lavras and University Hradec Kralove) and Prof. Dr. F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam and Radboud University). The cover picture shows the key message of their work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D2 Ch and the bond acceptor A- , and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO-LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is presented. Read the full text of their Full Paper at 10.1002/open.202000323.",

author = "\{de Azevedo Santos\}, Lucas and \{van der Lubbe\}, \{Stephanie C.C.\} and Hamlin, \{Trevor A.\} and Ramalho, \{Teodorico C.\} and \{Matthias Bickelhaupt\}, F.",

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AU - de Azevedo Santos, Lucas

AU - van der Lubbe, Stephanie C.C.

AU - Hamlin, Trevor A.

AU - Ramalho, Teodorico C.

AU - Matthias Bickelhaupt, F.

PY - 2021/4/1

Y1 - 2021/4/1

N2 - Invited for this month's cover are the groups of Prof. Dr. Teodorico C. Ramalho (Federal University of Lavras and University Hradec Kralove) and Prof. Dr. F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam and Radboud University). The cover picture shows the key message of their work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D2 Ch and the bond acceptor A- , and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO-LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is presented. Read the full text of their Full Paper at 10.1002/open.202000323.

AB - Invited for this month's cover are the groups of Prof. Dr. Teodorico C. Ramalho (Federal University of Lavras and University Hradec Kralove) and Prof. Dr. F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam and Radboud University). The cover picture shows the key message of their work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D2 Ch and the bond acceptor A- , and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO-LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is presented. Read the full text of their Full Paper at 10.1002/open.202000323.

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A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

Abstract

ASJC Scopus subject areas

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