Untersuchungen am Chlordiphenyl- und Tribenzylstiban sowie am Tribenzyldibromstiboran - Molekülstrukturen und Isotypie

Becker, Gerd; Mündt, O.; Sachs, Malte; Breunig, H. J.; Lork, Enno; Probst, J.; Silvestru, Anca

doi:10.1002/1521-3749(200104)627:4<699::aid-zaac699>3.0.co;2-u

Cited by 24 publications

(17 citation statements)

References 42 publications

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“…Ph 2 SbCl [6] and Ph 2 SbI [8] were prepared as described. 1 H and 13 C NMR spectra were recorded in C 6 D 6 solutions at room temperature using a Bruker Avance DPX-200 spectrometer operating at 200.1 MHz, and 50.3 MHz, respectively.…”

Section: Experimental and Computationalsupporting

confidence: 77%

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Syntheses, structures and DFT study of [W(CO)5(Ph2SbX)] X=Cl, Br, I

Breunig¹,

Borrmann²,

Lork³

et al. 2007

Journal of Organometallic Chemistry

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Section: Experimental and Computationalsupporting

confidence: 77%

“…We chose the series [W(CO) 5 (Ph 2 SbX)], X = Cl (1), Br (2) and I (3) for an inspection of the crystal structures and selected 1 for a study at the DFT level. The synthesis and characterisation of 1 [1] and the crystal structures of the free ligands Ph 2 SbX (X = Cl [6], Br [7], I [8]) were reported before.…”

Section: Introductionmentioning

confidence: 99%

Syntheses, structures and DFT study of [W(CO)5(Ph2SbX)] X=Cl, Br, I

Breunig¹,

Borrmann²,

Lork³

et al. 2007

Journal of Organometallic Chemistry

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“…Dry solvents were collected from a SPS800 mBraun solvent system. 5,6‐Dibromoacenaphthene, 5‐Bromo‐6‐diphenylarsinoacenaphthene, [6‐(diphenylphosphino)acenaphth‐5‐yl]tributyltin ( 7a ),[14b] tetrahydrothiophene gold chloride and trichloride, diphenylarsenic bromide and diphenylantimony chloride were prepared according to literature procedures , . (Triphenylarsine)gold(I) bromide was synthesized by the reaction of (triphenylarsine)gold(I) chloride with acetyl bromide .…”

Section: Methodsmentioning

confidence: 98%

Aurophilicity and Photoluminescence of (6‐Diphenylpnicogenoacenaphth‐5‐yl)gold Compounds

et al. 2019

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The organotin precursors 6-Br-Ace-5-SnBu 3 (6, Ace = acenaphthyl) and 6-Ph 2 E-Ace-5-SnBu 3 (7a: E = P; 7b: E = As; 7c: E = Sb) were prepared and used for the synthesis of organogold complexes, namely, the homodinuclear arylgold(I) species (6-Ph 2 E-Ace-5-Au) 2 (8a: E = P; 8b: E = As; 8c: E = Sb), arylgold(III) dichloride 6-Ph 2 P-Ace-5-AuCl 2 (9), diarylgold(III) chloride [trans-(6-Ph 2 P-Ace-5-) 2 Au]Cl ([10]Cl), as well as the heterodinuclear gold complexes 6-Ph 2 P(AuX)-Ace-5-Au(AsPh 3 ) (11a: X = Cl; 11b: X = Br). Compounds 8a -8c, 11a, and 11b show significant aurophilic interactions, which are related to their photolumines- [a] naphth-5-yl)mercury and inorganic gold salts. [9] Due to the kinetic instability of the reported Hg-Au complexes, the formation of the cis-bis(6-diphenylphosphinoacenaphth-5-yl)gold cation [5] + was observed (Scheme 1). We now report on a series of peri-substituted (6-diphenylpnicogenoacenaphth-5-yl)gold compounds, which show substantial aurophilic interactions as well as green-yellow photoluminescence in solution and, in some cases, also in the solid state. These compounds were characterized by NMR, UV/Vis, and photoluminescence spectroscopy as well as X-ray crystallography. In addition, the aurophilic interactions and photoluminescence properties were characterized theoretically employing density functional theory (DFT) and time-dependent density functional theory (TD-DFT). Determination of a set of real-space bonding indicators (RSBIs), derived from the electron density (ED), facilitates straight-forward characterization of chemical bonds in complex molecular systems. The wide-spread topological approach according to the Atoms-In-Molecules (AIM [10] ) space-partitioning provides atomic properties, such as charges and volumes, a distinct bond paths motif, as well as bond properties, which are used to analyze various kinds of chemical interactions. [11] A recent approach relies on the reduced density gradient, s(r) = [1/2-(3π 2 ) 1/3 ]|∇ρ|/ρ 4/3 , which is displayed in a way to uncover regions in space where non-covalent interactions (NCI [12] ) occur. By mapping the ED times the sign of the second eigenvalue of the Hessian [sign(λ 2 )ρ] on iso-surfaces of s(r), different contact types including steric/repulsive (λ 2 > 0), van der Waals-like (λ 2 ≈ 0), and attractive (λ 2 < 0) interactions can be assigned. In complementary fashion, the computed electron pair densities may be analyzed according to the topological Electron Localizability Indicator (ELI-D [13] ) method, which divides real-space into basins of localized electron pairs. By applying this tool, which provides electron populations of bonds and lone-pairs, effects of electron redistribution due to subtle structural changes become visible. As shown in previous studies, the combined use of AIM, NCI, and ELI-D is superior to the restriction to one type of RSBI as different aspects of atom-atom interactions (bond Scheme 2. Synthesis of the organotin precursors 6 and 7a -7c. 648 polarities, degree of covalency, etc.) may be...

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“…Compound (I) crystallized in the monoclinic space group P2 1 /n with the C-P bond lengths (Table 1) being unremarkable. The space group and cell dimensions of (I) were different to that of the antimony analogue tribenzylstibine (Becker et al, 2001), which crystallized in the orthorhombic space group Pbca. The cell dimensions were also notably different to the nitrogen analogue, tribenzylamine, which was twice determined to be monoclinic with different settings of the same space group.…”

Section: Commentmentioning

confidence: 82%

Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride–tribenzylphosphane (1/1)

2013

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Tribenzylphosphane, PBz3 (C21H21P), crystallizes in a notably different unit cell to its Group 15 analogues NBz3 and SbBz3. The packing is dominated by face-edge π-interactions which result in infinite columns of molecules parallel to the b axis; these columns are linked by further face-edge π-interactions into sheets of columns parallel to the [101] direction. Its hydrochloride salt, tribenzylphosphonium hydrogen dichloride-tribenzylphosphane (1/1), lies on a threefold axis within a trigonal crystal system. It exists in the solid state as a hydrogen-bridged dimer with the composition [H(PBz3)2](+)[HCl2](-) (C42H43P2(+)·HCl2(-)). The cation is the first structurally authenticated example of a phosphane acting as a hydrogen-bond acceptor to a phosphonium group and the cations are linked into a three-dimensional network through intermolecular face-edge π-interactions.

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Untersuchungen am Chlordiphenyl- und Tribenzylstiban sowie am Tribenzyldibromstiboran - Molekülstrukturen und Isotypie

Cited by 24 publications

References 42 publications

Syntheses, structures and DFT study of [W(CO)5(Ph2SbX)] X=Cl, Br, I

Syntheses, structures and DFT study of [W(CO)5(Ph2SbX)] X=Cl, Br, I

Aurophilicity and Photoluminescence of (6‐Diphenylpnicogenoacenaphth‐5‐yl)gold Compounds

Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride–tribenzylphosphane (1/1)

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