Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction
Original language description
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 -> E and E -> 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 -> E and E -> 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 -> 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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/GA20-10417S" target="_blank" >GA20-10417S: Auto-ionizated Main Group Cations as Catalysts for Ring-Opening Polymerization reactions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
European Journal of Inorganic Chemistry
ISSN
1434-1948
e-ISSN
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Volume of the periodical
2020
Issue of the periodical within the volume
38
Country of publishing house
DE - GERMANY
Number of pages
11
Pages from-to
3644-3653
UT code for WoS article
000573460400001
EID of the result in the Scopus database
2-s2.0-85091608313