Structural Diversity in the Complexes of Trimeric Perfluoro-<i>o</i>-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene

Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonarı, Marina S.; Antipin, M. Yu.; Timofeeva, Tatiana V.

doi:10.1021/cg501594t

Cited by 8 publications

(4 citation statements)

References 36 publications

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“…Similar to the previously reported complex 2(TPPM)·TTF, , the lateral interstack interactions involving halogen atoms have significant impact on crystal packing. These lateral interactions combine the components from adjacent stacks in the layers running parallel to the (111) plane (Figure ).…”

Section: Resultssupporting

confidence: 84%

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Castañeda

Fonarı

Risko

et al. 2016

Crystal Growth & Design

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Seven cocrystals derived from 2,7-substituted benzo[1,2-b:6,5-b′]dithiophene-4,5-diones (BDDO) and trimeric perfluoro-o-phenylene mercury (TPPM) exhibit two prominent packing motifs: parallel mixed stacks and T-shaped columnar structures. The varied packing patterns reveal an interplay of noncovalent intermolecular interactions that depend on the nature of the BDDO 2,7-substituents and on the crystallization conditions. Quantum-chemical analyses show little charge-transfer character in the mixed-stack structures, suggesting limited electronic interaction among the mixed TPPM and BDDO constituents. The variations in molecular packing with rather minimal change in chemical structure expose the ability to fine-tune the structure of these molecular cocrystals.

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Section: Resultssupporting

confidence: 84%

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Castañeda

Fonarı

Risko

et al. 2016

Crystal Growth & Design

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“…Even longer (albeit still sub-van der Waals) Hg···Se distances were found in 11 (3.351(4)–3.777(4) Å), where o -phenylene mercury and tetraselenafulvalene components are both planar and form cofacial stacks, although the authors consider these as Hg···Se “contacts” rather than bonds. 48 No NMR data have been reported for 11 unfortunately to allow comparison of its J SeHg couplings with that in [L1HgCl 2 ] 2 ·2CHCl 3 .…”

Section: Results and Discussionmentioning

confidence: 99%

Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations

Zhang,

Christie,

Tarcza

et al. 2023

Inorg. Chem.

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A series of peri-substituted acenaphthene-based phosphine selenoether bidentate ligands Acenap(iPr2P)(SeAr) (L1–L4, Acenap = acenaphthene-5,6-diyl, Ar = Ph, mesityl, 2,4,6-trisopropylphenyl and supermesityl) were prepared. The rigid acenaphthene framework induces a forced overlap of the phosphine and selenoether lone pairs, resulting in a large magnitude of through-space 4 J PSe coupling, ranging from 452 to 545 Hz. These rigid ligands L1–L4 were used to prepare a series of selected late d-block metals, mercury, and borane complexes, which were characterized, including by multinuclear NMR and single-crystal X-ray diffraction. The Lewis acidic motifs (BH3, Mo(CO)4, Ag+, PdCl2, PtCl2, and HgCl2) bridge the two donor atoms (P and Se) in all but one case in the solid-state structures. Where the bridging motif contained NMR-active nuclei (11B, 107Ag, 109Ag, 195Pt, and 199Hg), J PM and J SeM couplings are observed directly, in addition to the altered J PSe in the respective NMR spectra. The solution NMR data are correlated with single-crystal diffraction data, and in the case of mercury(II) complexes, they are also correlated with the solid-state NMR data and coupling deformation density calculations. The latter indicate that the through-space interaction dominates in free L1, while in the L1HgCl 2 complex, the main coupling pathway is via the metal atom and not through the carbon framework of the acenaphthene ring system.

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“…In addition, other crystal forms of (o-C 6 F 4 Hg) 3 and o-Me 2 TTF will be investigated by varying the solvent used during crystallization. Recently in this area, the ability to produce polymorphic forms of molecular complexes containing (o-C 6 F 4 Hg) 3 and TTF have been realized due to varying the crystallizing solvent [28]. …”

Section: Resultsmentioning

confidence: 99%

Structural and spectroscopic analyses of a ternary supramolecular complex [(o-C₆F₄Hg)₃(o-Me₂TTF)·CH₃CN]: elucidating and validating non-covalent interactions in the solid state

Fisher

Groeneman

Reinheimer

2015

Journal of Coordination Chemistry

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2015): Structural and spectroscopic analyses of a ternary supramolecular complex [(o-C 6 F 4 Hg) 3 (o-Me 2 TTF)·CH 3 CN]: Elucidating and validating non-covalent interactions in the solid state, Journal of Coordination Chemistry, Given the presence of Hg(II) ions, heightened electron-withdrawing properties, and presence of readily accessible electrophilic sites on its molecular surface, trimeric perfluoro-orthophenylenemercury (o-C 6 F 4 Hg) 3 has been classified throughout the literature as one of the most powerful Lewis acids. Due to this fact, numerous supramolecular complexes containing both neutral and anionic substrates have been synthesized. In this paper, we highlight the structural and spectroscopic properties of a complex containing (o-C 6 F 4 Hg) 3 and o-3,4-dimethyltetrathiafulvalene (o-Me 2 TTF). The supramolecular complex [(o-C 6 F 4 Hg) 3 (oMe 2 TTF)·CH 3 CN] (1) is based upon an alternating stack structure of the two compounds held together by non-covalent Hg···S interactions. Fluorine atoms are found accepting C-H···F hydrogen bonds from hydrogens bonded to both sp 2 -and sp 3 -hybridized carbons, producing a three-dimensional supramolecular assembly. Infrared spectroscopic measurements confirmed the presence of both Hg···S and Hg···N supramolecular interactions within 1 due to a shift in respective vibrational frequencies.

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Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene

Cited by 8 publications

References 36 publications

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations

Structural and spectroscopic analyses of a ternary supramolecular complex [(o-C₆F₄Hg)₃(o-Me₂TTF)·CH₃CN]: elucidating and validating non-covalent interactions in the solid state

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Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene

Cited by 8 publications

References 36 publications

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b′]dithiophene-4,5-dione Derivatives

Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations

Structural and spectroscopic analyses of a ternary supramolecular complex [(o-C6F4Hg)3(o-Me2TTF)·CH3CN]: elucidating and validating non-covalent interactions in the solid state

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Structural and spectroscopic analyses of a ternary supramolecular complex [(o-C₆F₄Hg)₃(o-Me₂TTF)·CH₃CN]: elucidating and validating non-covalent interactions in the solid state