NDLI: Synthesis, structures, photoluminescence, and theoretical investigations on two new Zn(II)/Mn(II) complexes with pyridine-2-amidoxine and carboxylate ligands

Content Provider	Springer Nature Link
Author	Ran, Jingwen Tong, Yi Ping
Copyright Year	2011
Abstract	Two new neutral mononuclear Zn(II) and Mn(II) complexes with pyridine-2-amidoxine and carboxylate ligands, [Zn(paH)$_{2}$(OAc)$_{2}$]·2CH$_{3}$OH (paH = pyridine-2-amidoxine, HOAc = acetic acid) (1), and [Mn(paH)$_{2}$(OAc)$_{2}$]·C$_{2}$H$_{5}$OH·2H$_{2}$O (2), have been prepared and characterized structurally by X-ray crystallography. 1 and free paH exhibit photoluminescence at room temperature in solid state, which is rare so fare for metal complexes with oxime-based ligand. The emissions of 1 and free paH arise from the metal-perturbed paH-based π → π* ligand-to-ligand charge transfer transition (LLCT) and π → π* charge transfer transition in nature, respectively, in terms of the density functional theory level calculations and molecular orbital analyses.Two new neutral mononuclear Zn (II) and Mn(II) complexes with pyridine-2-amidoxine and carboxylate ligands, [Zn(paH)$_{2}$(OAc)$_{2}$]·2CH$_{3}$OH (paH = pyridine-2-amidoxine, HOAc = acetic acid) (1), and [Mn(paH)$_{2}$(OAc)$_{2}$]·C$_{2}$H$_{5}$OH·2H$_{2}$O (2), have been synthesized and characterized structurally. The rarely reported photoluminescent behavior for oxime-based metal complexes has been observed in solid 1, indicating that such neutral mononuclear oxime-based metal complexes are a new class of potential candidates for photoluminescence and/or electroluminescence devices. The photoluminescent property and spectroscopic shifts have been investigated in detail for 1 and free paH ligand by means of the density functional theory level calculations and molecular orbital analyses. The emission for 1 and free paH ligand, are related to the metal-perturbed paH-based π → π* ligand-to-ligand charge transfer transition (LLCT) and π → π* charge transfer transition in nature, respectively.
Starting Page	1113
Ending Page	1118
Page Count	6
File Format	PDF
ISSN	10400400
Journal	Structural Chemistry
Volume Number	22
Issue Number	5
e-ISSN	15729001
Language	English
Publisher	Springer US
Publisher Date	2011-05-20
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Zn(II) complex Mn(II) complex Synthesis Crystal structure Photoluminescence Theoretical calculation Electronic structure The density functional theory Theoretical and Computational Chemistry Physical Chemistry Computer Applications in Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry Condensed Matter Physics

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