Synthesis and structure of [Ag26In18S 36Cl6(dppm)10(thf)4][InCl 4(thf)]2 - A combined approach of theory and experiment

Angewandte Chemie - International Edition

Volumn 43, Issue 29, 2004, Pages 3823-3827

  Ahlrichs, Reinhart ^a   Eichhöfer, Andreas ^b   Fenske, Dieter ^a   Hampe, Oliver ^b   Kappes, Manfred M ^a   Nava, Paola ^a   Olkowska Oetzel, Jolanta ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

Cluster compounds; Density functional calculations; Mass spectrometry; X ray diffraction

Indexed keywords

COMPLEXATION; INDIUM COMPOUNDS; MOLECULAR STRUCTURE; SILVER COMPOUNDS; SINGLE CRYSTALS; X RAY DIFFRACTION; X RAY PHOTOELECTRON SPECTROSCOPY;

BIDENTATE PHOSPHANE; DENSITY FUNCTIONAL THEORY; IONIC CLUSTERS;

SYNTHESIS (CHEMICAL);

BENZENE DERIVATIVE; CHLORINE DERIVATIVE; INDIUM; SILICON DERIVATIVE; SILVER DERIVATIVE; SULFUR;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM MASS SPECTROMETRY; SYNTHESIS; X RAY DIFFRACTION;

EID: 4544303617     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200460052     Document Type: Article

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41. -1.
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46. We could not afford calculations that included either Ph or Me (instead of H) for dppm in connection with a TZVPP basis for the cluster core. However, putting Ph or Me on selected dppm reduced the Ag-Ag distance by about 20 pm, thus reducing deviations to the experiment by 50%.