SOWLATI-HASHJIN, Shahin, Vojtěch ŠÁDEK, SeyedAbdolreza SADJADI, Mikko KARTTUNEN, Angel MARTIN-PENDAS and Cina FOROUTAN-NEJAD. Collective interactions among organometallics are exotic bonds hidden on lab shelves. Nature Communications. Berlin: Nature, 2022, vol. 13, No 1, p. 2069-2077. ISSN 2041-1723. Available from: https://dx.doi.org/10.1038/s41467-022-29504-0.
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Basic information
Original name Collective interactions among organometallics are exotic bonds hidden on lab shelves
Authors SOWLATI-HASHJIN, Shahin, Vojtěch ŠÁDEK (203 Czech Republic, guarantor, belonging to the institution), SeyedAbdolreza SADJADI, Mikko KARTTUNEN, Angel MARTIN-PENDAS and Cina FOROUTAN-NEJAD.
Edition Nature Communications, Berlin, Nature, 2022, 2041-1723.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10400 1.4 Chemical sciences
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 16.600
RIV identification code RIV/00216224:14740/22:00128635
Organization unit Central European Institute of Technology
Doi http://dx.doi.org/10.1038/s41467-022-29504-0
UT WoS 000784997300051
Keywords in English ENERGY DECOMPOSITION SCHEMEQUANTUM-THEORYFUNCTIONAL THEORY2-ELECTRON INTEGRATIONSELECTRON-DENSITIESBASIS-SETSATOMSMOLECULESHYDROCARBONSCOVALENT
Tags rivok
Tags International impact, Reviewed
Changed by Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 14/2/2023 15:05.
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 is an element of [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 [M(a+)AR(3)](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.
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LM2018140, research and development projectName: e-Infrastruktura CZ (Acronym: e-INFRA CZ)
Investor: Ministry of Education, Youth and Sports of the CR
PrintDisplayed: 4/10/2024 10:24