Collective interactions among organometallics are exotic bonds
hidden on lab shelves

J 2022

Collective interactions among organometallics are exotic bonds hidden on lab shelves

SOWLATI-HASHJIN, Shahin; Vojtěch ŠÁDEK; SeyedAbdolreza SADJADI; Mikko KARTTUNEN; Angel MARTIN-PENDAS et al.

Základní údaje

Originální název

Collective interactions among organometallics are exotic bonds hidden on lab shelves

Autoři

SOWLATI-HASHJIN, Shahin; Vojtěch ŠÁDEK; SeyedAbdolreza SADJADI; Mikko KARTTUNEN; Angel MARTIN-PENDAS a Cina FOROUTAN-NEJAD

Vydání

Nature Communications, Berlin, Nature, 2022, 2041-1723

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Německo

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 16.600

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14740/22:00128635

Organizační jednotka

Středoevropský technologický institut

Klíčová slova anglicky

ENERGY DECOMPOSITION SCHEMEQUANTUM-THEORYFUNCTIONAL THEORY2-ELECTRON INTEGRATIONSELECTRON-DENSITIESBASIS-SETSATOMSMOLECULESHYDROCARBONSCOVALENT

Štítky

14313010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 14. 2. 2023 15:05, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

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.

Návaznosti

LM2018140, projekt VaV

Název: e-Infrastruktura CZ (Akronym: e-INFRA CZ)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, e-Infrastruktura CZ

Citovat

SOWLATI-HASHJIN, Shahin; Vojtěch ŠÁDEK; SeyedAbdolreza SADJADI; Mikko KARTTUNEN; Angel MARTIN-PENDAS a Cina FOROUTAN-NEJAD. Collective interactions among organometallics are exotic bonds hidden on lab shelves. Nature Communications. Berlin: Nature, 2022, roč. 13, č. 1, s. 2069-2077. ISSN 2041-1723. Dostupné z: https://doi.org/10.1038/s41467-022-29504-0.

@article{2255497,
   author = {SowlatiandHashjin, Shahin and Šádek, Vojtěch and Sadjadi, SeyedAbdolreza and Karttunen, Mikko and MartinandPendas, Angel and ForoutanandNejad, Cina},
   article_location = {Berlin},
   article_number = {1},
   doi = {https://doi.org/10.1038/s41467-022-29504-0},
   keywords = {ENERGY DECOMPOSITION SCHEMEQUANTUM-THEORYFUNCTIONAL THEORY2-ELECTRON INTEGRATIONSELECTRON-DENSITIESBASIS-SETSATOMSMOLECULESHYDROCARBONSCOVALENT},
   language = {eng},
   issn = {2041-1723},
   journal = {Nature Communications},
   title = {Collective interactions among organometallics are exotic bonds hidden on lab shelves},
   url = {https://www.nature.com/articles/s41467-022-29504-0},
   volume = {13},
   year = {2022}
}

TY  - JOUR
ID  - 2255497
AU  - Sowlati-Hashjin, Shahin - Šádek, Vojtěch - Sadjadi, SeyedAbdolreza - Karttunen, Mikko - Martin-Pendas, Angel - Foroutan-Nejad, Cina
PY  - 2022
TI  - Collective interactions among organometallics are exotic bonds hidden on lab shelves
JF  - Nature Communications
VL  - 13
IS  - 1
SP  - 2069
EP  - 2069
PB  - Nature
SN  - 20411723
KW  - ENERGY DECOMPOSITION SCHEMEQUANTUM-THEORYFUNCTIONAL THEORY2-ELECTRON INTEGRATIONSELECTRON-DENSITIESBASIS-SETSATOMSMOLECULESHYDROCARBONSCOVALENT
UR  - https://www.nature.com/articles/s41467-022-29504-0
N2  - 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.
ER  -

SOWLATI-HASHJIN, Shahin; Vojtěch ŠÁDEK; SeyedAbdolreza SADJADI; Mikko KARTTUNEN; Angel MARTIN-PENDAS a Cina FOROUTAN-NEJAD. Collective interactions among organometallics are exotic bonds hidden on lab shelves. \textit{Nature Communications}. Berlin: Nature, 2022, roč.~13, č.~1, s.~2069-2077. ISSN~2041-1723. Dostupné z: https://doi.org/10.1038/s41467-022-29504-0.

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