Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6.

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Abstract Text:

Kaplan Kirakci, Cordier,Alex Shames,Bruno Fontaine,Olivier Hernandez,Eric Furet, Halet, Gautier,Christiane Perrin,

The Cs3Mo6Ii6Ii2-xSeixIa6 series has been obtained by a solid-state route. There is evidence for a solid solution between the compositions Cs3Mo6Ii6Ii0.8Sei1.2Ia6 and Cs3Mo6Ii6Ii0.4Sei1.6Ia6 (space group: R3c, Z=6; a=16.7065(4), c=20.5523(4) A, V=4967.8(2) A3 and a=16.6354(3), c=20.5444(4) A, V=4923.7(2) A3, respectively). The structure of this new series is based on magnetic [Mo6Ii6Sei2Ia6]3- and diamagnetic [Mo6Ii7SeiIa6]3- units with 23 and 24 valence electrons per Mo6 cluster, respectively. For a particular x, the structure of Cs3Mo6Ii6Ii2-xSexIa6 is based on a mixture of (x-1) [Mo6Ii6Sei2Ia6]3- with (2-x) [Mo6Ii7SeiIa6]3-. This leads to an average [Mo6Ii6Ii2-xSexIa6]3- ionic unit deduced from single-crystal X-ray diffraction investigations. The two inner positions of the average face-capped [Mo6Ii8-xSeixIa6]3- ionic units (located on the threefold axis of the unit) are randomly occupied by iodine and selenium, whereas the other ligand positions are fully occupied by iodine. Low-temperature electron paramagnetic resonance (EPR) studies reveal a signal split into two components with g||>gperpendicular. The reciprocal double integration intensity of the EPR signal versus T graph reveals a typical Curie law behavior. A density functional theory (DFT) study indicates that occupation of the inner position on the threefold axis by selenium atoms is preferred energetically among the three possible distributions of selenium atoms. The comparison of experimental and theoretical g values confirms the crystallographic analysis and agrees with the axial elongation of the Mo6 cluster within the crystal structure.

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Publishing Authors By Initials

K Kirakci,S Cordier,A Shames,B Fontaine,O Hernandez,E Furet,JF Halet,R Gautier,C Perrin,

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

VOLUME: 13

Page Numbers: 9608-16

Journal Abbreviation:

ISSN: 0947-6539

DAY: 22

MONTH: 11

YEAR: 2007

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 9513783

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6.

AFFILIATION: Sciences Chimiques de Rennes, UMR 6226 CNRS-Université de Rennes, France.

Country: Germany

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: Chemistry

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6 Related Publications

• A microcalorimetric investigation of the binding of flurbiprofen to cyclodextrins.
• Analysis of some dosage forms containing pyridine derivatives using a cyclodextrin bonded stationary phase in HPLC.
• Arylfluoroborates and alkylfluorosilicates as potential PET imaging agents: high-yielding aqueous biomolecular 18F-labeling.
• Assembly of hexamolybdenum metallic clusters on silicon surfaces.
• Carnitine is associated with fatty acid metabolism in plants.
• Cognitive processing and motor skill learning in motor-handicapped teenagers: Effects of learning method.
• Cognitive task fulfilment may decrease gaze control performances.
• Drosophila aging 2005/06.
• Editorial comment on: The immediate and 6-mo reproducibility of pressure-flow studies in men with benign prostatic enlargement.
• Evaluation of exposure with response-prevention for obsessive compulsive disorder in childhood and adolescence.
• Histopathologic observations in a fatal case of Q fever.
• In search of peer reviewers.
• Information technology to support improved care for chronic illness.
• Measurement of flurbiprofen-human serum albumin interaction by fluorimetry.
• Microcalorimetric and chromatographic investigations of the binding of some pyridine derivatives to cyclodextrins.
• Net energy of cellulosic ethanol from switchgrass.
• Pyruvate reduces DNA damage during hypoxia and after reoxygenation in hepatocellular carcinoma cells.
• SCHIP, Children, and Politics.
• Short term outcomes of the first round of a pilot colorectal cancer screening programme with guaiac based faecal occult blood test.
• Signalling pathways involved in adult heart formation revealed by gene expression profiling in Drosophila.
• Simultaneous determination of codeine and ibuprofen in plasma by high-performance liquid chromatography.
• The independent and interactive effects of navicular drop and quadriceps angle on neuromuscular responses to a weight-bearing perturbation.
• Toward an RNaseA mimic: A DNAzyme with imidazoles and cationic amines.
• Triggering DNAzymes with light: a photoactive C8 thioether-linked adenosine.
• Tryptathionine bridges in peptide synthesis.
• Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6Ii6Ii2-xSeixIa6.
• [In Process Citation]
• [Not Available.]
• [Not Available.]
• [Not Available.]