Paper Title:
Structures and Electronic Spectroscopy of Rhodium-Based Complexes: a Theoretical Study on Promising Optical Materials
  Abstract

A series of rhodium-based complexes were explored theoretically to understand their application in optical materials and potential photocatalytic activity. Better structural description of [RhAu(CNH)2(PH2CH2PH2)2]2+ (1) were achieved with the ab initio MP2, XαVWN, and SVWN methods. To fine-tune the electronic spectroscopy, two analogues of 1 were taken into account by varying its Au metal center and bridging bidentate ligand. The experimental spectra were well reproduced by our TD-DFT calculations. It was shown that the lowest-energy absorption of homobimetallic Rh-Rh complex occurs in lower-energy region than those of heterobimetallic Rh-Au complexes.

  Info
Periodical
Advanced Materials Research (Volumes 284-286)
Chapter
Optical/Electronic/Magnetic Materials
Edited by
Xiaoming Sang, Pengcheng Wang, Liqun Ai, Yungang Li and Jinglong Bu
Pages
2288-2291
DOI
10.4028/www.scientific.net/AMR.284-286.2288
Citation
Y. R. Guo, Q. J. Pan, "Structures and Electronic Spectroscopy of Rhodium-Based Complexes: a Theoretical Study on Promising Optical Materials", Advanced Materials Research, Vols. 284-286, pp. 2288-2291, 2011
Online since
July 2011
Export
Price
$32.00
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