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Tetrahedral molecular geometry

About: Tetrahedral molecular geometry is a research topic. Over the lifetime, 1795 publications have been published within this topic receiving 30706 citations.


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Journal ArticleDOI
TL;DR: In this paper, the structure and electronic properties of the new copper(I) complexes have been computed by electronic structure computational techniques (TD-DFT calculations), that contribute to the assignments of electronic spectra.
Abstract: Reactions of copper(I) halides with 1,1,1-tris(diphenylphosphanylmethyl)ethane (triphos) in 1:1 molar ratio afforded mononuclear complexes of the type [CuX(triphos)] which on further treatment with one equivalent of the potassium thiolate salt of a heterocyclic thione gave rise to the formation of mixed-ligand complexes of the formula [Cu(κ3-triphos)(κ1-thiolate)]. The molecular structures of [Cu(κ3-triphos)(κ1-py2S)]·C2H5OH (1) and [Cu(κ3-triphos)(κ1-pymt)] (2) have been established by single-crystal X-ray diffraction. The complexes adopt a rigid distorted tetrahedral geometry with the phosphane ligand acting in a tridentate chelating mode. The complexes are strongly luminescent in solution and in the solid state. The spectroscopic and electronic properties of the new copper(I) complexes have been computed by electronic structure computational techniques (TD-DFT calculations), that contribute to the assignments of electronic spectra. The high-energy absorptions in the absorption spectra of complexes 1 and 2, ranging from 210 to 270 nm, are assigned to MLCT/LLCT transitions and the same also holds true for the low-energy absorptions found in the range 280 to 300 nm. In the lowest triplet excited state, T1, involved in the emission in the 456–502 nm range, the spin density is delocalized over the entire nuclear framework.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

18 citations

Journal ArticleDOI
TL;DR: Some tricyclohexyltin(IV) carboxylates, HOOC-R-COOSn(c-C6H11)3 (1) and (c-c6H 11)3(2) were synthesized under microwave irradiation in this paper.
Abstract: Some tricyclohexyltin(IV) carboxylates, HOOC–R–COOSn(c-C6H11)3 (1) and (c-C6H11)3SnOOC–R–COOSn(c-C6H11)3 (2) [R = 1,2-C6H4 (a), 1,2-C6F4 (b), (Z)-CH=CH (c), CH2CH2 (d)], have been synthesized from reaction of tricyclohexyltin hydroxide with cyclic dicarboxylic anhydrides under microwave irradiation in 1 : 1 and 2 : 1 M ratio, respectively, and characterized by elemental analysis, IR and NMR (1H, 13C, and 119Sn) spectra. Crystal structures of 1a–1c and 2d are determined by X-ray single crystal diffraction. The carboxylate in each compound is monodentate to tin. Compounds 1a and 1c possess a trans-C3SnO2 trigonal bipyramidal geometry with axial positions occupied by carboxylate and carbonyl oxygen of carboxylate of an adjacent molecule forming a one-dimensional chain. Compound 1b is tetrahedral and forms R 2 2(8) hydrogen-bonded dimers by pairs of intermolecular O–H O hydrogen bonds between two carboxylic acid groups. Compound 2d is dinuclear with tin possessing distorted tetrahedral geometry; a trimer supr...

18 citations

Journal ArticleDOI
TL;DR: In this paper, it was shown that the closed-shell dianion of 4,6-di-tert-butyl-2-[(pentafluorophenyl)amino]benzenethiol, has been synthesized from the reaction of H2(2L) and CoCl2 in acetonitrile with excess NEt3, brief exposure of the solution to air, and addition of [PPh4]Br.

18 citations

Journal ArticleDOI
TL;DR: In this paper, the structure and bonding properties of tetraphenyltin and triphenyltins have been studied by the 119Sn Mossbauer effect and multinuclear NMR spectroscopy.

18 citations

Journal ArticleDOI
TL;DR: In this paper, the mean potential energy of interaction between two randomly disordered molecules has been derived and generalized to interactions in a molecular lattice, with results in reasonable agreement with experimental values.
Abstract: Some generalizations of previous theoretical expressions for the mean potential energy of interaction between two randomly disordered molecules have been derived and have been generalized to interactions in a molecular lattice. Values of the heats of vaporization of some tetrahedral molecules and halogens have been calculated, with results in reasonable agreement with experimental values. Application of the theory to the heat of sublimation of a disordered solid, hexachloroethane, is also discussed.

18 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
202314
202240
202143
202039
201939
201847