Journal ArticleDOI
A new phenylimidorhenium(V) compound containing the 2-[(2-hydroxyethylimino)methyl]phenol Schiff-base ligand: experimental and theoretical aspects
Smita Majumder,Jnan Prakash Naskar,Arnab Bhattacharya,Rakesh Ganguly,Pinki Saha,Shubhamoy Chowdhury +5 more
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TLDR
In this paper, an octahedral trans-Cl,Cl phenylimidorhenium(V) complex has been characterized by C, H and N microanalyses, FTIR and UV-vis spectra.Abstract:
Reaction of equimolar trans-[Re(NPh)(PPh3)2Cl3] with H2L, a 1 : 1 Schiff-base condensate of salicylaldehyde and ethanolamine, in chloroform gives trans-[Re(NPh)(HL)(PPh3)Cl2] (1a) in good yield. 1a has been characterized by C, H, and N microanalyses, FTIR and UV–vis spectra. The X-ray crystal structure of 1a reveals that it is an octahedral trans-Cl,Cl phenylimidorhenium(V) complex. The rhenium center has an ‘N2OCl2P’ coordination sphere. 1a crystallizes in the monoclinic space group P21/c with a = 11.2391(5), b = 16.4848(7), c = 16.3761(8) A, V = 3034.0(2) A3 and Z = 4. The electrochemical aspects of 1a have been studied. Electrochemical studies of 1a in dichloromethane show a quasi-reversible Re(V) to Re(VI) oxidation at 1.128 V versus Ag/AgCl. This redox potential reasonably matches the calculated redox potential, 1.186 V versus Ag/AgCl. Geometry optimization of the trans-Cl,Cl 1a vis-a-vis its cis analog, cis-Cl,Cl 1b, have been performed at the level of density functional theory (DFT). It is revealed...read more
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Rhenium chemistry – Then and Now
TL;DR: A review of rhenium chemistry from its discovery in 1925 through to 1985 is presented in this paper, with a focus on applications such as catalysis (DODH, CO2 reduction, hydrogenation and nitrogen fixation).
Journal ArticleDOI
Synthesis and DFT calculations of oxido and phenylimido-rhenium(V) complexes incorporating the N, O donor ligand 2-[(2-hydroxyethylimino)methyl]phenol
Pinki Saha,Jnan Prakash Naskar,Arnab Bhattacharya,Rakesh Ganguly,Baptu Saha,Shubhamoy Chowdhury +5 more
TL;DR: In this paper, a range of spectroscopic and analytical techniques were used to characterize octahedral cis-Cl,Cl oxorhenium(V) complex, while 2b is a trans-cl,Cl phenylimidorhenia(V)-complex.
Journal ArticleDOI
Rhenium in the core of porphyrin and rhenium bound to the periphery of porphyrin: synthesis and applications
TL;DR: The number of well characterized rhenium porphyrinoids are limited but they show interesting diverse properties, some of which are also discussed in this review.
Journal ArticleDOI
A copper(II) complex of benzimidazole-based ligand: synthesis, structure, redox aspects and fluorescence properties
Shubhamoy Chowdhury,Arnab Bhattacharya,Pinki Saha,Smita Majumder,Eringathodi Suresh,Jnan Prakash Naskar +5 more
TL;DR: In this paper, a greenish-blue copper(II) complex, [Cu(bpb)2(NO3)2] (1a), has been synthesized analytically and spectroscopically.
Journal ArticleDOI
Synthesis, structure and some properties of a manganese(II) benzoate containing diimine
Pranajit Paul,Subhadip Roy,Sanjoy Sarkar,Shubhamoy Chowdhury,R.N. Dutta Purkayastha,Pallepogu Raghavaiah,Patrick McArdle,Lokesh Deb,Sarangthem Indira Devi +8 more
TL;DR: A new monomeric manganese(II) benzoate complex containing nitrogen donor 2,2′-bipyridine, [Mn(OBz) 2 (bipy)(H 2 O)] (OBz=benzoate, bipy=2,2''-, 2, 2''-, bipy-and a water molecule forming distorted octahedral structure was synthesized from aqueous methanol medium and characterized by analytical, spectroscopic and single crystal X-ray diffraction studies as discussed by the authors.
References
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Journal ArticleDOI
A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
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Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
P. Jeffrey Hay,Willard R. Wadt +1 more
TL;DR: In this article, effective core potentials (ECP) have been derived to replace the innermost core electron for third row (K), fourth row (Rb-Ag), and fifth row (Cs-Au) atoms.
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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
TL;DR: In this article, two extended basis sets (termed 5-31G and 6 -31G) consisting of atomic orbitals expressed as fixed linear combinations of Gaussian functions are presented for the first row atoms carbon to fluorine.
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Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
P. Jeffrey Hay,Willard R. Wadt +1 more
TL;DR: In this article, the Coulomb, exchange, and core-orthogonality effects of the chemically inert core electron in the transition metal atoms Sc to Hg have been replaced by the ab initio effective core potentials (ECP).
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Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
Vincenzo Barone,Maurizio Cossi +1 more
TL;DR: In this paper, a new implementation of the conductor-like screening solvation model (COSMO) in the GAUSSIAN94 package is presented, which allows Hartree−Fock (HF), density functional (DF) and post-HF energy, and HF and DF gradient calculations: the cavities are modeled on the molecular shape, using recently optimized parameters, and both electrostatic and nonelectrostatic contributions to energies and gradients are considered.