TY - JOUR
T1 - Tetramer compound of manganese ions with mixed valence [Mn II Mn III Mn IV ] and its spatial, electronic, magnetic, and theoretical studies
AU - Pastor-Ramírez, Cándida
AU - Ulloa, Rafael Zamorano
AU - Ramírez-Rosales, Daniel
AU - Vázquezlima, Hugo
AU - Hernández-Anzaldo, Samuel
AU - Reyes-Ortega, Yasmi
N1 - Publisher Copyright:
© 2018 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2018/12
Y1 - 2018/12
N2 - Using different spectroscopic techniques and computational calculations, we describe the structural and electromagnetic relationship that causes many interesting phenomena within a novel coordination compound with mixed valence manganese (II, III and IV) in its crystal and powder state. The novel compound [Mn II Mn III Mn IV (HL) 2 (H 2 L) 2 (H 2 O) 4 ](NO 3 ) 2 (H 2 O) 1 was obtained with the Schiff base (E)-2-((2-hydroxybenzylidene)amine)-2-(hydroximethyl)propane-1,3-diol, (H 4 L), and Mn(NO 3 ) 2 .4H 2 O. The coordination reaction was promoted by the deprotonation of the ligand by the soft base triethylamine. The paper’s main contribution is the integration of the experimental and computational studies to explain the interesting magnetic behavior that the mixed valence manganese multimetallic core shows. The results presented herein, which are rarely found for Mn(II), (III) and (IV) complexes, will contribute to the understanding of the magnetic communication generated by the valence electrons and its repercussion in the local geometry and in the overall crystalline structure.
AB - Using different spectroscopic techniques and computational calculations, we describe the structural and electromagnetic relationship that causes many interesting phenomena within a novel coordination compound with mixed valence manganese (II, III and IV) in its crystal and powder state. The novel compound [Mn II Mn III Mn IV (HL) 2 (H 2 L) 2 (H 2 O) 4 ](NO 3 ) 2 (H 2 O) 1 was obtained with the Schiff base (E)-2-((2-hydroxybenzylidene)amine)-2-(hydroximethyl)propane-1,3-diol, (H 4 L), and Mn(NO 3 ) 2 .4H 2 O. The coordination reaction was promoted by the deprotonation of the ligand by the soft base triethylamine. The paper’s main contribution is the integration of the experimental and computational studies to explain the interesting magnetic behavior that the mixed valence manganese multimetallic core shows. The results presented herein, which are rarely found for Mn(II), (III) and (IV) complexes, will contribute to the understanding of the magnetic communication generated by the valence electrons and its repercussion in the local geometry and in the overall crystalline structure.
KW - Coordination geometry
KW - Intermolecular and intramolecular interactions
KW - Magnetic interactions
KW - Mixed valence
UR - http://www.scopus.com/inward/record.url?scp=85063490454&partnerID=8YFLogxK
U2 - 10.3390/cryst8120447
DO - 10.3390/cryst8120447
M3 - Artículo
AN - SCOPUS:85063490454
SN - 2073-4352
VL - 8
JO - Crystals
JF - Crystals
IS - 12
M1 - 447
ER -