Ambiguous Role of N -> Sn Coordinated Stannylene: Lewis Base or Acid?

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39915104" target="_blank" >RIV/00216275:25310/19:39915104 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.organomet.8b00816" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.organomet.8b00816</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.organomet.8b00816" target="_blank" >10.1021/acs.organomet.8b00816</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Ambiguous Role of N -> Sn Coordinated Stannylene: Lewis Base or Acid?

Popis výsledku v původním jazyce

peri-Substituted naphthalene derivatives 1-BCy2-8-SnL-C10H6 (5), 1-PPh2-8-SnL-C10H6 (6), and 1,8-(SnL)(2)-C10H6 (7) (L = 2,6-(Me2NCH2)(2)C6H3) were prepared. Compounds 5-7 allowed us to study the interactions between the tin atom from the LSn fragment with either Lewis acidic (BCy2) or Lewis basic sites (PPh2 and LSn). Moreover, addition of an external Lewis acid (BH3 center dot SMe2) to 6 with different Sn/P donor atoms surprisingly provided the complex 1-PPh2-8-[(BH3)(2)L]Sn-C10H6 (8), where both CH2NMe2 groups of the ligand L were coordinated by BH3 and as the consequence, P -&gt; Sn coordination exists in 8. The presence and type of the Y/Sn (P -&gt; Sn vs B &lt;- Sn) interactions are described either experimentally or theoretically. The latter comprise determination of peri-interaction energies (PIE) as well as a variety of real-space bonding indicators (RSBI) derived from DFT calculations on the C/B-H corrected XRD structures of compounds 5-8. The electron density (ED) is topologically dissected according to the Atoms-In-Molecules (AIM) approach providing atomic volumes and charges as well as a bond paths motif, which also includes weak secondary contacts thereby transcending the Lewis picture of molecular bonding patterns.

Název v anglickém jazyce

Ambiguous Role of N -> Sn Coordinated Stannylene: Lewis Base or Acid?

Popis výsledku anglicky

peri-Substituted naphthalene derivatives 1-BCy2-8-SnL-C10H6 (5), 1-PPh2-8-SnL-C10H6 (6), and 1,8-(SnL)(2)-C10H6 (7) (L = 2,6-(Me2NCH2)(2)C6H3) were prepared. Compounds 5-7 allowed us to study the interactions between the tin atom from the LSn fragment with either Lewis acidic (BCy2) or Lewis basic sites (PPh2 and LSn). Moreover, addition of an external Lewis acid (BH3 center dot SMe2) to 6 with different Sn/P donor atoms surprisingly provided the complex 1-PPh2-8-[(BH3)(2)L]Sn-C10H6 (8), where both CH2NMe2 groups of the ligand L were coordinated by BH3 and as the consequence, P -&gt; Sn coordination exists in 8. The presence and type of the Y/Sn (P -&gt; Sn vs B &lt;- Sn) interactions are described either experimentally or theoretically. The latter comprise determination of peri-interaction energies (PIE) as well as a variety of real-space bonding indicators (RSBI) derived from DFT calculations on the C/B-H corrected XRD structures of compounds 5-8. The electron density (ED) is topologically dissected according to the Atoms-In-Molecules (AIM) approach providing atomic volumes and charges as well as a bond paths motif, which also includes weak secondary contacts thereby transcending the Lewis picture of molecular bonding patterns.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Organometallics

ISSN

0276-7333

e-ISSN

—

Svazek periodika

38

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

13

Strana od-do

816-828

Kód UT WoS článku

000459948500012

EID výsledku v databázi Scopus

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