Interplay of carbonyl–carbonyl, CH⋯O and CH⋯π interactions in hierarchical supramolecular assembly of tartaric anhydrides – Tartaric acid and its O-acyl derivatives: Part 11

Madura, Izabela D.; Zachara, Janusz; Hajmowicz, Halina; Synoradzki, Ludwik

doi:10.1016/j.molstruc.2012.02.053

Cited by 16 publications

(7 citation statements)

References 44 publications

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“…On the other hand, a great deal of recent work has shown that the CH group can serve as a potent proton donor in H-bonds (HBs) in parallel fashion to OH and NH donors [9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26]. CH••X HBs are quite prevalent in nature, in biological [27][28][29][30][31][32][33][34][35] as well as chemical [36][37][38][39][40][41][42][43][44] contexts. The ability of CH to act in this capacity is related first to the hybridization of the C atom, in the order sp > sp 2 > sp 3 .…”

Section: Introductionmentioning

confidence: 99%

Microsolvation of anions by molecules forming CH··X− hydrogen bonds

Nepal

Scheiner

2015

Chemical Physics

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Various anions were surrounded by n molecules of CF 3 H, which was used as a prototype CH donor solvent, and the structures and energies studied by M06-2X calculations with a 6-31+G** basis set. Anions considered included the halides F-, Cl-, Brand I-, as well as those with multiple proton acceptor sites: CN-, NO 3-, HCOO-, CH 3 COO-, HSO 4-, H 2 PO 4-, and anions with higher charges SO 4 2-, HPO 4 2and PO 4 3-. Well structured cages were formed and the average H-bond energy decreases steadily as the number of surrounding solvent molecules rises, even when n exceeds 6 and the CF 3 H molecules begin to interact with one another rather than with the central anion. Total binding energies are very nearly proportional to the magnitude of the negative charge on the anion. The free energy of complexation becomes more negative for larger n initially, but then reaches a minimum and begins to rise for larger values of n.

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Section: Introductionmentioning

confidence: 99%

Microsolvation of anions by molecules forming CH··X− hydrogen bonds

Nepal

Scheiner

2015

Chemical Physics

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“…Moreover, the close contacts between particular atom types can be highlighted in so-called resolved fingerprint plots, [ 29 ] which allows the facile assignment of an intermolecular contact to a certain type of interaction and quantitatively summarize the nature and type of intermolecular contacts. The Hirshfeld surfaces are mapped with d norm , d e , and 2D fingerprint plots presented were generated using Crystal-Explorer 17.5 [ 32 , 33 , 34 , 35 , 36 ]. As can be seen from the results of the contact analysis, presented in Figure 3 and summarized in Table 1 , H-X interactions account for 84.8% of all contacts, signifying a highly compact solid-state structure.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, Characterization, and X-ray Crystallography, of the First Cyclohexadienyl Trifluoromethyl Metal Complex (η5-C6H7)Fe(CO)2CF3

Douvris

Matatov²,

Bussan³

et al. 2022

Molecules

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Fluorochemistry is a field of tremendous developments and advances in several areas of science including materials, pharmaceuticals and agriculture. This makes the design and synthesis of fluorine-containing substances highly desirable research targets. The sub-area of synthetic perfluorinated chemistry proportionately attracts widespread interest by applying to all areas of chemistry including organic and inorganic. Particularly, the latter is much underdeveloped as metal complexes with perfluoroalkyl moieties are scarce, with the vast majority of perfluorinated analogs, of long known, halo and alkylated derivatives never having been synthesized. Focusing on the chemistry of trifluoromethyl group, which is the most important in the class of perfluoroalkyls, we set out to explore the possibility of synthesizing and completely characterizing a cyclohexadienyl metal complex. Upon utilizing a number of trifluorometylating reagents, we only arrived at an efficient preparation by the use of Morrison’s trifluormethylating reagent. As a result, the new, air- and moisture-sensitive complex (η5-C6H7)Fe(CO)2CF3, was prepared in 71% yield, using a nucleophilic iodo-for-trifluoromethyl substitution, and was completely characterized including by X-ray crystallography.

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“…Due to symmetry between d e and d i in the mathematical expression for d norm , where two Hirshfeld surfaces come in contact, they both exhibit a red spot identical in color intensity, size and shape. [71] Furthermore, close contacts between specific atom types can be highlighted in resolved fingerprint plots, [43,67,68] thereby allowing facile assignment of an intermolecular contact to a specific type of interaction. Two additional colored attributes (shape index and curvedness), based on the local curvature of the generated surface, can also be specified.…”

Section: Methodsmentioning

confidence: 99%

Temperature‐Sensitive Structural Speciation of Cobalt‐Iminodialcohol‐(N,N'‐Aromatic Chelator) Systems: Lattice Architecture and Spectrochemical Properties

et al. 2020

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Temperature-sensitive crystalline phases, pertaining to discrete clusters of binary and ternary Co(II,III):iminodipropanol:(N,N′-aromatic binder) systems, were prepared. The rich structural speciation of such systems in alcoholic media and their unique structural, magnetic, and spectroscopic profiles have been demonstrated. The need to understand the chemical reactivity of such complex ternary Co(II)-(1,1′-iminodi-2-propanol) systems, in the presence of N,N′-aromatic chelators 2,2′-bipyridine and 1,10-phenanthroline and aromatic binder 4,4′-bipyridine in methanol, led to the synthetic development of well-defined hybrid metal-organic materials with discrete spectroscopic, structural, electrochemical, and magnetic prop-[a]

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Interplay of carbonyl–carbonyl, CH⋯O and CH⋯π interactions in hierarchical supramolecular assembly of tartaric anhydrides – Tartaric acid and its O-acyl derivatives: Part 11

Cited by 16 publications

References 44 publications

Microsolvation of anions by molecules forming CH··X− hydrogen bonds

Microsolvation of anions by molecules forming CH··X− hydrogen bonds

Synthesis, Characterization, and X-ray Crystallography, of the First Cyclohexadienyl Trifluoromethyl Metal Complex (η5-C6H7)Fe(CO)2CF3

Temperature‐Sensitive Structural Speciation of Cobalt‐Iminodialcohol‐(N,N'‐Aromatic Chelator) Systems: Lattice Architecture and Spectrochemical Properties

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