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

Rok: 2020

Druh publikace: článek v odborném periodiku

Název zdroje: European Journal of Inorganic Chemistry

Název nakladatele: Wiley-VCH

Místo vydání: Weinheim

Strana od-do: 3644-3653

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
cze	Studie Donor-Akceptorové vazby na N-koordinovaných Sn/Pb(II) atomech v substituovaných naftalenech	Byly připraveny deriváty 1-PPh2-8-PbL-C10H6(4) a 1-BCy2-8-PbL-C10H6(5) (L = 2,6-(Me2NCH2)(2)C6H3). Sloučeniny obsahovaly vazbu Pb atomu s BCy2 i PPh2 skupinou.	Olovo; Cín; redox chemie; naftalen
eng	Study of Donor-Acceptor Bonds on theN-Coordinated Sn/Pb(II) Atoms inperi-Substituted Naphthalenes: Evidence of Pb -> B Interaction	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.	Lead; Tin; Boron; Redox chemistry; Density functional calculations

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