Collective interactions among organometallics are exotic bonds hidden on lab shelves
Abstract Recent discovery of an unusual bond between Na and B in NaBH3 − motivated us to look for potentially similar bonds, which remained unnoticed among systems isoelectronic with NaBH3 −. Here, we report a novel family of collective interactions and a measure called exchange-correlation interact...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-04-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-022-29504-0 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1846147684429201408 |
|---|---|
| author | Shahin Sowlati-Hashjin Vojtěch Šadek SeyedAbdolreza Sadjadi Mikko Karttunen Angel Martín-Pendás Cina Foroutan-Nejad |
| author_facet | Shahin Sowlati-Hashjin Vojtěch Šadek SeyedAbdolreza Sadjadi Mikko Karttunen Angel Martín-Pendás Cina Foroutan-Nejad |
| author_sort | Shahin Sowlati-Hashjin |
| collection | DOAJ |
| description | Abstract Recent discovery of an unusual bond between Na and B in NaBH3 − motivated us to look for potentially similar bonds, which remained unnoticed among systems isoelectronic with NaBH3 −. Here, we report a novel family of collective interactions and a measure called exchange-correlation interaction collectivity index (ICIXC; $${ICI}\in \left[{{{{\mathrm{0,1}}}}}\right]$$ I C I ∈ 0, 1 ) to characterize the extent of collective versus pairwise bonding. Unlike conventional bonds in which ICIXC remains close to one, in collective interactions ICIXC may approach zero. We show that collective interactions are commonplace among widely used organometallics, as well as among boron and aluminum complexes with the general formula [Ma+AR3]b− (A: C, B or Al). In these species, the metal atom interacts more efficiently with the substituents (R) on the central atoms than the central atoms (A) upon forming efficient collective interactions. Furthermore, collective interactions were also found among fluorine atoms of XFn systems (X: B or C). Some of organolithium and organomagnesium species have the lowest ICIXC among the more than 100 studied systems revealing the fact that collective interactions are rather a rule than an exception among organometallic species. |
| format | Article |
| id | doaj-art-927b4f58f72e4d96aabf495ae581d3f0 |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2022-04-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-927b4f58f72e4d96aabf495ae581d3f02024-12-01T12:32:54ZengNature PortfolioNature Communications2041-17232022-04-011311910.1038/s41467-022-29504-0Collective interactions among organometallics are exotic bonds hidden on lab shelvesShahin Sowlati-Hashjin0Vojtěch Šadek1SeyedAbdolreza Sadjadi2Mikko Karttunen3Angel Martín-Pendás4Cina Foroutan-Nejad5Institute of Biomedical Engineering, University of TorontoCEITEC−Central European Institute of Technology, Masaryk UniversityDepartment of Physics, Faculty of Science, Laboratory for Space Research, The University of Hong KongDepartment of Chemistry, The University of Western OntarioDepartamento de Química Física y Analítica, University of OviedoInstitute of Organic Chemistry, Polish Academy of SciencesAbstract Recent discovery of an unusual bond between Na and B in NaBH3 − motivated us to look for potentially similar bonds, which remained unnoticed among systems isoelectronic with NaBH3 −. Here, we report a novel family of collective interactions and a measure called exchange-correlation interaction collectivity index (ICIXC; $${ICI}\in \left[{{{{\mathrm{0,1}}}}}\right]$$ I C I ∈ 0, 1 ) to characterize the extent of collective versus pairwise bonding. Unlike conventional bonds in which ICIXC remains close to one, in collective interactions ICIXC may approach zero. We show that collective interactions are commonplace among widely used organometallics, as well as among boron and aluminum complexes with the general formula [Ma+AR3]b− (A: C, B or Al). In these species, the metal atom interacts more efficiently with the substituents (R) on the central atoms than the central atoms (A) upon forming efficient collective interactions. Furthermore, collective interactions were also found among fluorine atoms of XFn systems (X: B or C). Some of organolithium and organomagnesium species have the lowest ICIXC among the more than 100 studied systems revealing the fact that collective interactions are rather a rule than an exception among organometallic species.https://doi.org/10.1038/s41467-022-29504-0 |
| spellingShingle | Shahin Sowlati-Hashjin Vojtěch Šadek SeyedAbdolreza Sadjadi Mikko Karttunen Angel Martín-Pendás Cina Foroutan-Nejad Collective interactions among organometallics are exotic bonds hidden on lab shelves Nature Communications |
| title | Collective interactions among organometallics are exotic bonds hidden on lab shelves |
| title_full | Collective interactions among organometallics are exotic bonds hidden on lab shelves |
| title_fullStr | Collective interactions among organometallics are exotic bonds hidden on lab shelves |
| title_full_unstemmed | Collective interactions among organometallics are exotic bonds hidden on lab shelves |
| title_short | Collective interactions among organometallics are exotic bonds hidden on lab shelves |
| title_sort | collective interactions among organometallics are exotic bonds hidden on lab shelves |
| url | https://doi.org/10.1038/s41467-022-29504-0 |
| work_keys_str_mv | AT shahinsowlatihashjin collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves AT vojtechsadek collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves AT seyedabdolrezasadjadi collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves AT mikkokarttunen collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves AT angelmartinpendas collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves AT cinaforoutannejad collectiveinteractionsamongorganometallicsareexoticbondshiddenonlabshelves |