How Photoelectron Spectroscopy and Quantum Chemical Studies Can Help Understanding the Magnetic Properties of Molecules: An Example from the Class of Cu(II)-Bis(oxamato) Complexes

被引：4

作者：

Braeuer, Bjoern ^{[1
]}

Grobosch, Mandy ^{[2
]}

Knupfer, Martin ^{[2
]}

Weigend, Florian ^{[3
]}

Vaynzof, Yana ^{[4
]}

Kahn, Antoine ^{[4
]}

Rueffer, Tobias ^{[1
]}

Salvan, Georgeta ^{[1
]}

机构：

[1] Tech Univ Chemnitz, Dept Phys, D-09107 Chemnitz, Germany

[2] IFW Dresden, D-01171 Dresden, Germany

[3] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany

[4] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2009年 / 113卷 / 30期

基金：

美国国家科学基金会;

关键词：

DENSITY-FUNCTIONAL THEORY; BASIS-SETS; ENERGY;

D O I：

10.1021/jp9019552

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Nanometer thin films of nonsublimable multinuclear transition metal complexes were deposited on Si by means of spin coating to enable photoelectron spectroscopy studies. In combination with density functional theory calculations, photoelectron spectroscopy is applied to gain insight into the electronic and magnetic properties of the complexes.

引用

页码：10051 / 10054

页数：4

共 30 条

[1]

[Anonymous], 1992, HDB XRAY PHOTOELECTR

[2] Molecular spintronics using single-molecule magnets [J].

Bogani, Lapo ;

Wernsdorfer, Wolfgang .

NATURE MATERIALS, 2008, 7 (03) :179-186

[3] Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes [J].

Braeuer, Bjoern ;

Weigend, Florian ;

Fittipaldi, Maria ;

Gatteschi, Dante ;

Reijerse, Edward J. ;

Guerri, Annalisa ;

Ciattini, Samuele ;

Salvan, Georgeta ;

Rueffer, Tobias .

INORGANIC CHEMISTRY, 2008, 47 (15) :6633-6644

[4] Magnetic and optical properties of Cu(II)-bis(oxamato) complexes:: Combined quantum chemical density functional theory and vibrational spectroscopy studies [J].

Braeuer, Bjoern ;

Weigend, Florian ;

Totti, Federico ;

Zahn, Dietrich R. T. ;

Rueffer, Tobias ;

Salvan, Georgeta .

JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (18) :5585-5593

[5] Spin density distribution in oxamato-type transition metal complexes [J].

Braeuer, Bjoern ;

Rueffer, Tobias ;

Kirmse, Reinhard ;

Griebel, Jan ;

Weigend, Florian ;

Salvan, Georgeta .

POLYHEDRON, 2007, 26 (9-11) :1773-1775

[6] Deposition of thin films of a transition metal complex by spin coating [J].

Braeuer, Bjoern ;

Zahn, Dietrich R. T. ;

Rueffer, Tobias ;

Salvan, Georgeta .

CHEMICAL PHYSICS LETTERS, 2006, 432 (1-3) :226-229

[7] Electronic and Magnetic Properties of Ni Nanoparticles Embedded in Various Organic Semiconductor Matrices [J].

Braeuer, Bjoern ;

Vaynzof, Yana ;

Zhao, Wei ;

Kahn, Antoine ;

Li, Wen ;

Zahn, Dietrich R. T. ;

Fernandez, Cesar de Julian ;

Sangregorio, Claudio ;

Salvan, Georgeta .

JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (14) :4565-4570

[8] TAILORED MAGNETIC-PROPERTIES IN TRINUCLEAR COPPER(II) COMPLEXES - SYNTHESIS, STRUCTURE, AND MAGNETIC-PROPERTIES OF COMPLEXES DERIVED FROM [1,3-PROPANEDIYLBIS(OXAMATO)]CUPRATE(II) ([CU(PBA)]2-) [J].

COSTA, R ;

GARCIA, A ;

RIBAS, J ;

MALLAH, T ;

JOURNAUX, Y ;

SLETTEN, J ;

SOLANS, X ;

RODRIGUEZ, V .

INORGANIC CHEMISTRY, 1993, 32 (17) :3733-3742

[9] RELATIONSHIP BETWEEN SINGLET-TRIPLET SPLITTING AND CU-O-CU BRIDGE ANGLE IN HYDROXO-BRIDGED COPPER DIMERS [J].

CRAWFORD, VH ;

RICHARDSON, HW ;

WASSON, JR ;

HODGSON, DJ ;

HATFIELD, WE .

INORGANIC CHEMISTRY, 1976, 15 (09) :2107-2110

[10] Soft and hard molecule-based magnets of formula [Bu4N]2[M2{Cu(opba)}3]•DMF [M = Mn(II) or Co(II), opba = ortho-phenylenebis(oxamato), DMF = dimethylformamide] [J].

Dias, MC ;

Knobel, M ;

Stumpf, HO .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2001, 226 :1961-1963

← 1 2 3 →