Detailed Information on Publication Record
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.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
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
10400 1.4 Chemical sciences
Country of publisher
Germany
Confidentiality degree
není předmětem státního či obchodního tajemství
References:
Impact factor
Impact factor: 16.600
RIV identification code
RIV/00216224:14740/22:00128635
Organization unit
Central European Institute of Technology
UT WoS
000784997300051
Keywords in English
ENERGY DECOMPOSITION SCHEMEQUANTUM-THEORYFUNCTIONAL THEORY2-ELECTRON INTEGRATIONSELECTRON-DENSITIESBASIS-SETSATOMSMOLECULESHYDROCARBONSCOVALENT
Tags
Tags
International impact, Reviewed
Změněno: 14/2/2023 15:05, Mgr. Pavla Foltynová, Ph.D.
Abstract
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.
Links
LM2018140, research and development project |
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