Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F20%3A39916709" target="_blank" >RIV/00216275:25310/20:39916709 - isvavai.cz</a>

Výsledek na webu

<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.202000696" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.202000696</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/ejic.202000696" target="_blank" >10.1002/ejic.202000696</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction

Popis výsledku v původním jazyce

Peri-substituted naphthalene derivatives, namely,N-coordinated plumbylenes 1-PPh2-8-PbL-C10H6(4) and 1-BCy2-8-PbL-C10H6(5) (L = 2,6-(Me2NCH2)(2)C6H3) were prepared. Compounds4and5allowed studying interactions between the Pb atoms with the either Lewis acidic (BCy2) or Lewis basic sites (PPh2). Addition of an external Lewis acid (BH3 center dot SMe2) to5provided the complex 1-BCy2-8-[(BH3)(2)L]Pb-C10H6(7), in which both NMe(2)groups of the ligand L were coordinated by BH3. This reaction has also been used for the synthesis of a tin analogue 1-BCy2-8-[(BH3)(2)L]Sn-C10H6(6). New complexes4-7were also compared with the previously known, tin(II) analogues 1-PPh2-8-SnL-C10H6(1), 1-PPh2-8-[(BH3)(2)L]Sn-C10H6(2), 1-BCy2-8-SnL-C10H6(3). This set of compounds allowed us to study influence of the P -&gt; E and E -&gt; Bperi-contacts upon the redox potentials E-1/2(ox1) by the cyclic voltammetry. As the result, the selective oxidation of E(II) atom was also studied and the new organotin(IV) sulfide [1-PPh2-8-LSn(C10H6)(mu-S)](2)(9) was prepared, the product of exclusive oxidation of the tin(II) atom in1. Beside this, the evaluation of the P -&gt; E and E -&gt; Bperi-contacts in the neutral molecules, the first and second ionization energies (IE) were calculated. For this reason, electronic properties, full structural optimizations were conducted with density functional theory (DFT) for all possible combinations of metal atom (Sn vs. Pb), Lewis acid (N -&gt; Sn/Pb vs. N(BH3)Sn/Pb),peri-substituents (BCy(2)vs. PPh2), and for three molecular charges (0 vs. 1(+)vs. 2(+)) on the B3PW91/6-311+g(2df,p) level of theory.

Název v anglickém jazyce

Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction

Popis výsledku anglicky

Peri-substituted naphthalene derivatives, namely,N-coordinated plumbylenes 1-PPh2-8-PbL-C10H6(4) and 1-BCy2-8-PbL-C10H6(5) (L = 2,6-(Me2NCH2)(2)C6H3) were prepared. Compounds4and5allowed studying interactions between the Pb atoms with the either Lewis acidic (BCy2) or Lewis basic sites (PPh2). Addition of an external Lewis acid (BH3 center dot SMe2) to5provided the complex 1-BCy2-8-[(BH3)(2)L]Pb-C10H6(7), in which both NMe(2)groups of the ligand L were coordinated by BH3. This reaction has also been used for the synthesis of a tin analogue 1-BCy2-8-[(BH3)(2)L]Sn-C10H6(6). New complexes4-7were also compared with the previously known, tin(II) analogues 1-PPh2-8-SnL-C10H6(1), 1-PPh2-8-[(BH3)(2)L]Sn-C10H6(2), 1-BCy2-8-SnL-C10H6(3). This set of compounds allowed us to study influence of the P -&gt; E and E -&gt; Bperi-contacts upon the redox potentials E-1/2(ox1) by the cyclic voltammetry. As the result, the selective oxidation of E(II) atom was also studied and the new organotin(IV) sulfide [1-PPh2-8-LSn(C10H6)(mu-S)](2)(9) was prepared, the product of exclusive oxidation of the tin(II) atom in1. Beside this, the evaluation of the P -&gt; E and E -&gt; Bperi-contacts in the neutral molecules, the first and second ionization energies (IE) were calculated. For this reason, electronic properties, full structural optimizations were conducted with density functional theory (DFT) for all possible combinations of metal atom (Sn vs. Pb), Lewis acid (N -&gt; Sn/Pb vs. N(BH3)Sn/Pb),peri-substituents (BCy(2)vs. PPh2), and for three molecular charges (0 vs. 1(+)vs. 2(+)) on the B3PW91/6-311+g(2df,p) level of theory.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA20-10417S" target="_blank" >GA20-10417S: Auto-ionizované kationty nepřechodných prvků jako katalyzátory ROP reakcí</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

European Journal of Inorganic Chemistry

ISSN

1434-1948

e-ISSN

—

Svazek periodika

2020

Číslo periodika v rámci svazku

38

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

11

Strana od-do

3644-3653

Kód UT WoS článku

000573460400001

EID výsledku v databázi Scopus

2-s2.0-85091608313