Magnetic Properties of Fe(II) Complexes of Cyclam Derivative with One p-Aminobenzyl Pendant Arm

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73603245" target="_blank" >RIV/61989592:15310/20:73603245 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.mdpi.com/2075-4701/10/3/366/htm" target="_blank" >https://www.mdpi.com/2075-4701/10/3/366/htm</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/met10030366" target="_blank" >10.3390/met10030366</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Magnetic Properties of Fe(II) Complexes of Cyclam Derivative with One p-Aminobenzyl Pendant Arm

Popis výsledku v původním jazyce

In order to prepare an Fe(II) spin crossover (SCO) complex that could be consequently modified to a bimetallic coordination compound that possesses another magnetic property of interest, a specially designed ligand L-NH2 (1-(4-aminobenzyl)-4,11-bis(pyridine-2-ylmethyl)- 1,4,8,11-tetraazacyclotetradecane) was prepared. This ligand consists of a macrocyclic cyclam part containing two 2-pyridylmethyl pendant arms (expecting SCO upon Fe(II) complexation) and one p-aminobenzyl pendant arm with an NH2 group. The presence of this group enables the consequent transformation to various functional groups for the selective complexation of other transition metals or lanthanides (providing the second property of interest). Furthermore, the performed theoretical calculations (TPSSh/def2-TZVP) predicted SCO behavior for the Fe(II) complex of L-NH2. Thus, Fe(II) complexes [Fe(L-NH2)](ClO4)(2) (1) and [Fe(L-NH2)]Cl-2.6H(2)O (2) were synthesized and thoroughly characterized. Based on the crystal structure of an isostructural analogous Ni(II) complex [Ni(L-NH2)]Cl-2.6H(2)O (3), the coordination number six was confirmed with an octahedral coordination sphere and a cis-arrangement of the pyridine pendant arms. The measured magnetic data confirmed the high-spin behavior of both compounds with large magnetic anisotropy (D = 17.8 for 1 and 20.9 cm(-1) for 2 complemented in both cases also with large rhombicity), though unfortunately without any indication of the SCO behavior with decreasing temperature. The lack of SCO can be ascribed to the crystal packing and/or the non-covalent intermolecular interactions stabilizing the high-spin state in the solid state.

Název v anglickém jazyce

Magnetic Properties of Fe(II) Complexes of Cyclam Derivative with One p-Aminobenzyl Pendant Arm

Popis výsledku anglicky

In order to prepare an Fe(II) spin crossover (SCO) complex that could be consequently modified to a bimetallic coordination compound that possesses another magnetic property of interest, a specially designed ligand L-NH2 (1-(4-aminobenzyl)-4,11-bis(pyridine-2-ylmethyl)- 1,4,8,11-tetraazacyclotetradecane) was prepared. This ligand consists of a macrocyclic cyclam part containing two 2-pyridylmethyl pendant arms (expecting SCO upon Fe(II) complexation) and one p-aminobenzyl pendant arm with an NH2 group. The presence of this group enables the consequent transformation to various functional groups for the selective complexation of other transition metals or lanthanides (providing the second property of interest). Furthermore, the performed theoretical calculations (TPSSh/def2-TZVP) predicted SCO behavior for the Fe(II) complex of L-NH2. Thus, Fe(II) complexes [Fe(L-NH2)](ClO4)(2) (1) and [Fe(L-NH2)]Cl-2.6H(2)O (2) were synthesized and thoroughly characterized. Based on the crystal structure of an isostructural analogous Ni(II) complex [Ni(L-NH2)]Cl-2.6H(2)O (3), the coordination number six was confirmed with an octahedral coordination sphere and a cis-arrangement of the pyridine pendant arms. The measured magnetic data confirmed the high-spin behavior of both compounds with large magnetic anisotropy (D = 17.8 for 1 and 20.9 cm(-1) for 2 complemented in both cases also with large rhombicity), though unfortunately without any indication of the SCO behavior with decreasing temperature. The lack of SCO can be ascribed to the crystal packing and/or the non-covalent intermolecular interactions stabilizing the high-spin state in the solid state.

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/GA17-08992S" target="_blank" >GA17-08992S: Magneticky multifunkční molekulové materiály</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

Metals

ISSN

2075-4701

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

13

Strana od-do

"366-1"-"366-13"

Kód UT WoS článku

000530137000070

EID výsledku v databázi Scopus

2-s2.0-85081590649