A DFT study on structures, frontier molecular orbitals and UV–vis spectra of [M(L)(N3)(C7H5N)(PPh3)] (M= Ru and Fe; L= Tp and Cp)-Reference-Cited by-同舟云学术

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A DFT study on structures, frontier molecular orbitals and UV–vis spectra of [M(L)(N3)(C7H5N)(PPh3)] (M= Ru and Fe; L= Tp and Cp)

Published:2015-08 Issue: Volume:791 Page:72-81
ISSN:0022-328X
Container-title:Journal of Organometallic Chemistry
language:en
Short-container-title:Journal of Organometallic Chemistry

Author:

Wang Tsang-Hsiu,Hsiao Ching-Hsiang,Chen Shih-Hsiung,Hsiao Ci-Min,Chen Li-Yun,Li Gheng-Min,Hsueh Bu-Cheng

Funder

National Center for High-performance Computing of Taiwan

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Reference41 articles.

1. A complete series of tricarbonylhalidorhenium(I) complexes (abpy)Re(CO)3(Hal), Hal=F, Cl, Br, I; abpy=2,2′-azobispyridine: Structures, spectroelectrochemistry and EPR of reduced forms

2. Photo-induced energy transfer and its switching in dyad and triad chromophore systems composed of coumarin, Ru(ii) and Os(ii) terpyridine-type complexesElectronic supplementary information (ESI) available: 1H NMR and ES mass spectra of the new dyad and triad coumarin-containing complexes, (C151)2-Os, (C151)2-Ru-ph-Os and (C151)2-Ru-azo-Os and the emission spectra of (C151)2-tpy and (C151)2-Os. See http://www.rsc.org/suppdata/dt/b2/b212274j/

3. The Organometallic Chemistry of the Transition Metals;Crabtree,2001

4. Inorganic Chemistry;Shriver,1999

5. Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media

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