Issue 41, 2010
From the journal:

Dalton Transactions

Efficient phenylmercury(ii) methylferrocenyldithiocarbamate functionalized dye-sensitized solar cells†

Vikram Singh,a   Ratna Chauhan,a   Abhinav Kumar,b   Lal Bahadur*a  and  Nanhai Singh*a  

* Corresponding authors

a Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi, India
E-mail: nsingh@bhu.ac.in, lbahadur@bhu.ac.in
Fax: 91 542 2368127
Tel: 91 542 2307321*108

b Department of Chemistry, Faculty of Science, Lucknow University, Lucknow, India

Abstract

Two new heterobimetallic phenylmercury(II) dithiocarbamate complexes incorporating the ferrocenyl moiety (C5H5)Fe(C5H4) (Fc), namely PhHgS2CN(CH2Fc)CH2C5H4N, (1) and PhHgS2CN(CH2Fc)CH2C4H3O, (2) have been prepared and characterized by elemental analysis, UV-Vis, IR, 1H and 13C NMR spectroscopies. The crystal structures of 1 and 2 showed a linear core at the Hg(II) centre of the molecule, bound by the sulfur atom of the dithiocarbamate ligand and carbon atom of the aromatic ring. Weak intermolecular Hg⋯S interactions form “head-to-tail” dimers in the cases of 1 and 2. The observed quasi-reversible cyclic voltammograms of the complexes have been corroborated by calculating gross natural electron population and gross natural electron spin population at each atom for the neutral as well its oxidized species obtained at density functional level (DFT) of theory, which suggests that the delocalization of electron spin population can affect the magnitude of ΔEp. The electronic absorption bands of both the complexes were assigned with the help of time dependent density functional theory (TD-DFT) calculations. The light harvesting properties of both 1 and 2 in conjunction with our previously reported compound PhHgS2CN(CH2Fc)CH2C6H5 (3) have been reported.

Graphical abstract: Efficient phenylmercury(ii) methylferrocenyldithiocarbamate functionalized dye-sensitized solar cells

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Article information

DOI
https://doi.org/10.1039/C0DT00575D
Article type
Paper
Submitted
30 May 2010
Accepted
20 Jul 2010
First published
09 Sep 2010

Dalton Trans., 2010,39, 9779-9788

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Efficient phenylmercury(II) methylferrocenyldithiocarbamate functionalized dye-sensitized solar cells

V. Singh, R. Chauhan, A. Kumar, L. Bahadur and N. Singh, Dalton Trans., 2010, 39, 9779 DOI: 10.1039/C0DT00575D

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