The Na...B Bond in NaBH3-: A Different Type of Bond

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F20%3A00118008" target="_blank" >RIV/00216224:14310/20:00118008 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1002/anie.202010024" target="_blank" >https://doi.org/10.1002/anie.202010024</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/anie.202010024" target="_blank" >10.1002/anie.202010024</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The Na...B Bond in NaBH3-: A Different Type of Bond

Popis výsledku v původním jazyce

A newly introduced Na-B bond in NaBH(3)(-)has been a challenge for the chemical bonding community. Here, a series of MBH3-(M=Li, Na, K) species and NaB(CN)(3)(-)are studied within the context of quantum chemical topology approaches. The analyses suggest that M-B interaction cannot be classified as an ordinary covalent, dative, or even simple ionic interaction. The interactions are controlled by coulombic forces between the metals and the substituents on boron, for example, H or CN, more than the direct M-B interaction. On the other hand, while the characteristics of the (3, -1) critical points of the bonds are comparable to weak hydrogen bonds, not covalent bonds, the metal and boron share a substantial sum of electrons. To the best of the author's knowledge, the characteristics of these bonds are unprecedented among known molecules. Considering all paradoxical properties of these bonds, they are herein described as ionic-enforced covalent bonds.

Název v anglickém jazyce

The Na...B Bond in NaBH3-: A Different Type of Bond

Popis výsledku anglicky

A newly introduced Na-B bond in NaBH(3)(-)has been a challenge for the chemical bonding community. Here, a series of MBH3-(M=Li, Na, K) species and NaB(CN)(3)(-)are studied within the context of quantum chemical topology approaches. The analyses suggest that M-B interaction cannot be classified as an ordinary covalent, dative, or even simple ionic interaction. The interactions are controlled by coulombic forces between the metals and the substituents on boron, for example, H or CN, more than the direct M-B interaction. On the other hand, while the characteristics of the (3, -1) critical points of the bonds are comparable to weak hydrogen bonds, not covalent bonds, the metal and boron share a substantial sum of electrons. To the best of the author's knowledge, the characteristics of these bonds are unprecedented among known molecules. Considering all paradoxical properties of these bonds, they are herein described as ionic-enforced covalent bonds.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/LM2015085" target="_blank" >LM2015085: CERIT Scientific Cloud</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Angewandte Chemie International Edition

ISSN

1433-7851

e-ISSN

1521-3773

Svazek periodika

59

Číslo periodika v rámci svazku

47

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

4

Strana od-do

20900-20903

Kód UT WoS článku

000566555900001

EID výsledku v databázi Scopus

2-s2.0-85090309127