Supramolecular assembly of a novel mercury(II) complex with a pyridine-based phosphinamide ligand

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F25%3A00143305" target="_blank" >RIV/00216224:14310/25:00143305 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1080/00958972.2025.2567004" target="_blank" >https://doi.org/10.1080/00958972.2025.2567004</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00958972.2025.2567004" target="_blank" >10.1080/00958972.2025.2567004</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Supramolecular assembly of a novel mercury(II) complex with a pyridine-based phosphinamide ligand

Popis výsledku v původním jazyce

The supramolecular assembly of the [(C6H5)2P(O)(NHC5H4N)]2HgI2 complex driven by the N–H⋯X, C–H⋯X, π⋯X (X = O, π), and C–H⋯I contacts is studied. The title molecule is the first mercury complex with a neutral (C)2P(O)(N)-based ligand, and the mercury atom adopts a geometry intermediate between pyramid and see-saw configurations. The interplay between intramolecular N–H⋯π, O⋯π, and C–H⋯π contacts and the conformations of phenyl rings with respect to the P = O group is discussed. One ligand shows + ap–sp and + ac + sc conformations based on the C–C–P = O torsion angles and the other ligand shows + sc + ap and + ap–sp conformations (ap = antiperiplanar, sp = synperiplanar, ac = anticlinal and sc = synclinal). In the 13C{1H} NMR spectrum, the doublet signals are revealed for all of the carbon atoms of phenyl group (1J, 2J, 3J and 4J), and for the two ortho carbon atoms of pyridine moiety (2 × 3J), due to the coupling with phosphorus. Molecular Electrostatic Potential (MEP) calculation was performed to visualize charge distribution across the molecule.

Název v anglickém jazyce

Supramolecular assembly of a novel mercury(II) complex with a pyridine-based phosphinamide ligand

Popis výsledku anglicky

The supramolecular assembly of the [(C6H5)2P(O)(NHC5H4N)]2HgI2 complex driven by the N–H⋯X, C–H⋯X, π⋯X (X = O, π), and C–H⋯I contacts is studied. The title molecule is the first mercury complex with a neutral (C)2P(O)(N)-based ligand, and the mercury atom adopts a geometry intermediate between pyramid and see-saw configurations. The interplay between intramolecular N–H⋯π, O⋯π, and C–H⋯π contacts and the conformations of phenyl rings with respect to the P = O group is discussed. One ligand shows + ap–sp and + ac + sc conformations based on the C–C–P = O torsion angles and the other ligand shows + sc + ap and + ap–sp conformations (ap = antiperiplanar, sp = synperiplanar, ac = anticlinal and sc = synclinal). In the 13C{1H} NMR spectrum, the doublet signals are revealed for all of the carbon atoms of phenyl group (1J, 2J, 3J and 4J), and for the two ortho carbon atoms of pyridine moiety (2 × 3J), due to the coupling with phosphorus. Molecular Electrostatic Potential (MEP) calculation was performed to visualize charge distribution across the molecule.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

JOURNAL OF COORDINATION CHEMISTRY

ISSN

0095-8972

e-ISSN

1029-0389

Svazek periodika

78

Číslo periodika v rámci svazku

20

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

18

Strana od-do

2271-2288

Kód UT WoS článku

001590113600001

EID výsledku v databázi Scopus

2-s2.0-105018844090