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Inspection of the X-ray structures of the newly prepared trans-[MII(CNXyl)2(DAPT)2]Cl(BF4) (M = Pd, Pt; Xyl = 2,6-Me2C6H3; DAPT = 4,6-diaminopyrimidine-2(1H)-thione) complexes and the appropriate Hirshfeld molecular surface analysis allowed the recognition of the previously unknown π-hole···metal interactions between a ligated isocyano group (acting as a π-hole donor) and the positively charged d8-PtII and d8-PdII metal centers (acting as nucleophiles); this is the first identification of π-hole···metal interactions with triple-bond species. Results of DFT calculations followed by the topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method) confirmed the presence of these contacts. The electrostatic surface potential calculations indicate that π-hole···metal contacts are formed upon interaction between the electrophilic isocyano C atom (π-hole donor) and the nucleophilic dz2-orbital of the metal centers acting as π-hole acceptors. Available CCDC data were processed from the perspective of the π-hole···metal interactions with isocyanide ligands and their analysis disclosed the role of metal nucleophilicity in the corresponding π-hole acceptor ability.
This article was published in the following journal.
Name: Chemistry (Weinheim an der Bergstrasse, Germany)
A domino silver-catalyzed intermolecularly nucleophilic addition of β-dicarbonyls to isocyano group and cyclization of imidoyl silver sequence was developed for the direct and efficient synthesis of ...
The σ-hole and π-hole tetrel-bonded complexes with a base H2CX (X = O, S, Se) have been studied, in which TH3F (T = C-Pb) and F2TO (T = C and Si) act as the σ-hole and π-hole donors, respectively....
This article analyzes the interplay between nitro's π-hole and halogen-bonding (XB) interactions in nitroarenes. Remarkable cooperativity effects are observed when π-hole and XB interactions coexist...
A Mn(III) mediated cascade cyclization of new designed multifunctionalized 3-isocyano-[1,1'-biphenyl]-2-carbonitrile with arylboronic acid to construct pyrrolopyridine derivatives is developed. A seri...
Mass-selective two-color resonant two-photon ionization (2C-R2PI), UV/UV hole burning and infrared (IR) depletion spectra of supersonic jet-cooled 2-pyridone-(H2O) clusters with n = 1-4 have been meas...
Funds autofluorescence (FAF) indicates hyper fluorescence at the macular hole in the patients with macular hole. Investigators investigate the association between FAF and visual acuity, re...
The purpose of this study is to compare functional and anatomical results of a combined surgery and two time surgery for macular hole and cataract extraction in one hundred and twenty pati...
Macular hole surgery were tried by different surgeons using many techniques with different successes but still there were many recurrences. In this study the investigators try to close the...
The efficacy of macular hole (MH) surgery with the halting of prone positioning by monitoring the MH closure in the swept source optical coherence tomographic (SS-OCT) images was compared ...
A macular hole is a fairly common problem in the retina and is an important cause of loss of central vision. The aim of this study is to determine whether, in patients with a stage 2 or 3 ...
Neutral or negatively charged ligands bonded to metal cations or neutral atoms. The number of ligand atoms to which the metal center is directly bonded is the metal cation's coordination number, and this number is always greater than the regular valence or oxidation number of the metal. A coordination complex can be negative, neutral, or positively charged.
Screening techniques first developed in yeast to identify genes encoding interacting proteins. Variations are used to evaluate interplay between proteins and other molecules. Two-hybrid techniques refer to analysis for protein-protein interactions, one-hybrid for DNA-protein interactions, three-hybrid interactions for RNA-protein interactions or ligand-based interactions. Reverse n-hybrid techniques refer to analysis for mutations or other small molecules that dissociate known interactions.
Positively charged atoms, radicals or group of atoms with a valence of plus 1, which travel to the cathode or negative pole during electrolysis.
Complexes containing CHLOROPHYLL and other photosensitive molecules. They serve to capture energy in the form of PHOTONS are generally found as components of the PHOTOSYSTEM I PROTEIN COMPLEX or the PHOTOSYSTEM II PROTEIN COMPLEX.
The interactions of particles responsible for their scattering and transformations (decays and reactions). Because of interactions, an isolated particle may decay into other particles. Two particles passing near each other may transform, perhaps into the same particles but with changed momenta (elastic scattering) or into other particles (inelastic scattering). Interactions fall into three groups: strong, electromagnetic, and weak. (From McGraw-Hill Encyclopedia of Science & Technology, 7th ed)
Radiology is the branch of medicine that studies imaging of the body; X-ray (basic, angiography, barium swallows), ultrasound, MRI, CT and PET. These imaging techniques can be used to diagnose, but also to treat a range of conditions, by allowing visuali...