✦ LIBER ✦

On the electronic structure of Cu(H2O)62+

✍ Scribed by Kiyoshi Tanaka; Helge Johansen

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 152 KB
Volume: 64
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1997)64:4<453::aid-qua7>3.0.co;2-v

No coin nor oath required. For personal study only.

✦ Synopsis

The electronic structure of the ground state and the doublet excited states due to 3d ª 3d transitions and charge-transfer transitions from ligand to copper of Ž . 2 q Cu H O are investigated by ab initio calculations. The excited states corresponding to 2 6 the 3d ª 3d transitions are calculated to be 1.1᎐1.4eV above the ground state and this is in good agreement with experiment. The charge-transfer excited states are not so easily determined as are the 3d ª 3d states, and they are described as an electron transfer from an orbital localized on each water. We have focused our attention on the description of these excited states. The charge-transfer excitations are predicted to start around 6.5 eV Ž . 2 q for Cu H O .

📜 SIMILAR VOLUMES

The Influence of PrBa Disorder on the El

The Influence of PrBa Disorder on the Electronic Structure of PrBa2Cu3O7

✍ M. Łuszczek; R. Laskowski 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 118 KB 👁 2 views

Rational Design of Homo and Hetero Hexan

Rational Design of Homo and Hetero Hexanuclear Coordination Compounds: Syntheses and Magnetic Properties of [Cu2IIM4II] (M = Cu, Ni) Species and the Crystal Structure of {[Cu(tmen)(H2O)]2[Cu(tmen)]2[Cu2L](H2O)}(ClO4)4 · 2 H2O

✍ Ally Aukauloo; Xavier Ottenwaelder; Rafael Ruiz; Yves Journaux; Yu Pei; Eric Riv 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 488 KB 👁 2 views

New homo-and heterometallic hexanuclear complexes of formula {[Cu(tmen) tetrakis(aminomethylene)methanetetrakis(oxamic acid), tmen = N,N,NЈ,NЈ-tetramethylethylenediamine, pmdien = N,N,N',N',N''-pentamethyldiethylenetriamine, and cyclam = 1,4,8,11-tetraazacyclotetradecane] have been synthesized. The

The Structure of As2O5·5/3 H2O

✍ Prof. Dr. E. Thilo; Dr. K.-H. Jost; Dipl.-Chem. H. Worzala 📂 Article 📅 1964 🏛 John Wiley and Sons 🌐 English ⚖ 226 KB 👁 1 views

Synthesis and Crystal Structure of [Cu2(

Synthesis and Crystal Structure of [Cu2(H2O)2(phen)2(OH)2][Cu2(phen)2(OH)2(CO3)2] · 10 H2O with phen = 1,10-phenanthroline

✍ Yue-Qing Zheng; Jian-Li Lin; Jie Sun 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 German ⚖ 132 KB 👁 1 views

Electronic Structure of Nd0.5Y0.5Ba2Cu3O

Electronic Structure of Nd0.5Y0.5Ba2Cu3O7-δ Single Crystals

✍ Hartmann, A.; Russell, G. J.; Matthews, D. N.; Cochrane, J. W. 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 459 KB 👁 1 views

The new bulk, melt-textured grown composite Nd,,,Y,~,Ba,Cu,O,-, , which also forms large single crystals, has the standard high-T, 123 orthorhombic structure when oxygenated and a very high critical current density in a magnetic field of 0.5 T. Both of these results were not anticipated, as the Nd a

Synthesis, Crystal Structure, and Magnet

Synthesis, Crystal Structure, and Magnetic Properties of {[Cu(phen)]2(C4H2O4)2} · 4.5H2O with C4H4O4 = Maleic Acid

✍ Yue-Qing Zheng; Jie Sun; Jian-Li Lin 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 German ⚖ 111 KB 👁 1 views