The noncovalent intermolecular interactions (π-π stacking, metallophilic bonding) of the cyclometalated complexes [Pt(NCN)L](+)X(-) (NCN = dipyridylbenzene, L pyridine (1), acetonitrile (2)) are determined by steric properties ancillary ligands in solid state and solution, while nature counterion X(-) (X(-) PF6(-), ClO4(-), CF3SO3(-)) affects molecular arrangement 2·X crystal medium. According to variable-temperature X-ray diffraction measurements, extensive Pt···Pt π-stacking significantly...

Abstract Luminescent cyclometalated complexes [M(C^N^N)CN] (M=Pt, Pd; HC^N^N=pyridinyl‐ (M=Pt 1 , Pd 5 ), benzyltriazolyl‐ 2 indazolyl‐ 3 6 pyrazolyl‐phenylpyridine 4 )) decorated with cyanide ligand, have been explored as nucleophilic building blocks for the construction of halogen‐bonded (XB) adducts using IC F an XB donor. The negative electrostatic potential CN group afforded CN⋅⋅⋅I noncovalent interactions platinum – ; energies contacts are comparable to those metallophilic bonding...

Abstract The bifunctional aminopyridine ligands H 2 N‐(CH ) n ‐4‐C 5 4 N ( =0, L1 ; 1, L2 2, L3 have been utilized for the preparation of rhenium complexes [Re(phen)(CO) 3 – )] + 1 phen=phenanthroline). Complexes and with NH ‐coordinated , respectively, were coupled cycloplatinated motifs {Pt(ppy)Cl} {Pt(dpyb)} (ppy=2‐phenylpyridine, dpyb=dipyridylbenzene) to give bimetallic species (μ‐ / )Pt(ppy)Cl] 6 )Pt(dpyb)] 2+ 7 ). In solution, show MLCT {Re}‐based emission at 298 K, which changes...

The halogen bonding between [Ru(dcbpy)2(SCN)2] dye and I2 molecule has been studied. ruthenium complex forms a stable [Ru(dcbpy)2(SCN)2]⋯I2·4(CH3OH) adduct via S⋯I interaction the thiocyanate ligand molecule. can be seen as model for one of key intermediates in regeneration cycle oxidized by I−/I3− electrolyte sensitized solar cells.

A series of gold(III) and palladium(II) heterometallic complexes with new iminophosphorane ligands derived from ferrocenylphosphanes [{Cp-P(Ph2)═N-Ph}2Fe] (1), [{Cp-P(Ph2)═N-CH2-2-NC5H4}2Fe] (2), [{Cp-P(Ph2)═N-CH2-2-NC5H4}Fe(Cp)] (3) have been synthesized structurally characterized. Ligands 2 3 afford stable coordination [AuCl2(3)]ClO4, [{AuCl2}2(2)](ClO4)2, [PdCl2(3)], [{PdCl2}2(2)]. The evaluated for their antiproliferative properties in human ovarian cancer cells sensitive resistant to...

The current paper introduces the use of stable carbonyl containing ruthenium complexes, [Ru(bpy)(CO)₂X₂] (X = Cl, Br, I), as halogen bond acceptors for a I₂halogen donor.

The series of chelating phosphine ligands, which contain bidentate P2 (bis[(2-diphenylphosphino)phenyl] ether, DPEphos; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene, Xantphos; 1,2-bis(diphenylphosphino)benzene, dppb), tridentate P3 (bis(2-diphenylphosphinophenyl)phenylphosphine), and tetradentate P4 (tris(2-diphenylphosphino)phenylphosphine) was used for the preparation corresponding dinuclear [M(μ2-SCN)P2]2 (M = Cu, 1, 3, 5; M Ag, 2, 4, 6) mononuclear [CuNCS(P3/P4)] (7, 9) [AgSCN(P3/P4)]...

A thorough characterization of unusually strong I⁺–S halogen bonds indicates that bonding is not merely an electrostatic contact but also has a coordinative nature, thus expanding the scope bonding.

Linking two cyclometalated Pt( ii ) fragments via cyanido bridge improves the luminescence and dramatically enhances aggregation ability resulting in distinct sensitivity to properties of surrounding medium.

Abstract The series of cyanide‐bridged coordination polymers [( P 2 )CuCN] n ( 1 ), )Cu{M(CN) }] (M=Cu 3 , Ag 4 Au 5 ) and molecular tetrametallic clusters [{( )MM'(CN)} ] 2+ (MM′=Cu 6 7 AgCu 8 AuCu 9 AuAg 10 were obtained using the bidentate tetradentate phosphane ligands =1,2‐bis(diphenylphosphino)benzene; =tris(2‐diphenylphosphinophenyl)phosphane). All title complexes crystallographically characterized to reveal a zig‐zag chain arrangement for – whereas possess metallocyclic frameworks...

A series of diimine ligands has been designed on the basis 2-pyridyl-1 H-phenanthro[9,10- d]imidazole (L1, L2). Coupling basic motif L1 with anthracene-containing fragments affords bichromophore compounds L3-L5, which L4 and L5 adopt a donor-acceptor architecture. The latter allows intramolecular charge transfer intense absorption bands in visible spectrum (lowest λabs 464 nm (ε = 1.2 × 104 M-1 cm-1) 490 5.2 CH2Cl2 for L5, respectively). L1-L5 show strong fluorescence fluid medium (Φem...

Cyclometalated complexes [M(Phbpy)(CN)] (HPhbpy = 6-phenyl-2,2′-bipyridine) of the group 10 metals (Ni, Pd, and Pt) bearing a carbanionic –C∧N∧N pincer ligand were synthesized studied in combined experimental computational DFT approach. All three crystallographically characterized showing closely packed dimers with head-to-tail stacking short metal-metal contacts solid state. The models for geometries, excited states, electronic transitions addressed both monomeric (Ni-mono, Pd-mono,...

The role of noncovalent gold–hydrogen and aurophilic interactions in the formation extended molecular systems gold complexes was studied. Three new compounds with a heterocyclic thione ligand N-methylbenzothiazole-2-thione (mbtt), namely, [AuCl(mbtt)] (1), [AuBr(mbtt)] (2), [Au(mbtt)2][AuI2]1–n[I3]n (3), were synthesized characterized. halide had considerable effect on complex structures thus to contacts. Intermolecular C–H···Au Au···Au contacts dominant 1–3 determining supramolecular arrays...

Factors that determine accumulation of sediment-associated polychlorinated dibenzo-p-dioxins and furans diphenyl ethers into semipermeable membrane devices (SPMDs) benthic oligochaete worms (Lumbriculus variegatus) were examined. These factors included both physical−chemical structural characteristics the contaminants (water solubility, lipophilicity, dipole moment, molecular size, conformation) sediment (organic carbon content, particle aromaticity, polarity organic carbon). The results...

Ruthenium tetracarbonyl polymer, [Ru(CO)4]n, a chainlike compound formed by metal-metal interactions, was studied computationally. We first performed tests with selected pure and hybrid GGA density functionals ab initio methods at HF MP2 levels of theory to find the most suitable method. Calculated geometries molecular orbitals were compared see effectiveness possible differences methods. Hybrid functionals, especially PBE1PBE MPW1K, found produce accurate geometrical parameters experimental...

A new type of concerted halogen bond–hydrogen bond interaction was found in the solid state structure [RuI2(H2dcbpy)(CO)2]⋯I2⋯(MeOH)⋯I2⋯[RuI2(H2dcbpy)(CO)2]. The iodine atoms two I2 molecules interact simultaneously with each other and OH group methanol crystallization. characterized by single crystal X-ray measurements computational charge density analysis based on DFT calculations.

In this work, several new examples of rare Au(III)Au(III) aurophilic contacts are reported. A series gold(iii) double salts and complexes, viz. [AuX2(L)][AuX4] (L = 2,2'-bipyridyl, X Cl , Br ; L 2,2'-bipyrimidine, 2,2'-dipyridylamine, ), [AuX3(biq)] (biq 2,2'-biquinoline, [LH][AuX4] [AuBr2(bpy)]2[AuBr4][AuBr2] [AuCl2(bpm)][AuCl2] (bpmH)2[AuBr4][AuBr2] (dpaH)[AuBr2] (, were reported earlier) was synthesized by coordination a particular ligand to the Au(III) center subsequent reduction formed...

The effect of replacing the anchoring carboxylate groups in Ru(H2dcbpy)2(NCS)2 (H2dcbpy = 4,4′-dicarboxylic acid-2,2′- bipyridine) photoactive dye was studied by computational density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. main emphasis study to compare a series attaching groups, including COOH, B(OH)2, PO(OH)2, SO2(OH), OH, NO2, SiCl3, relative adsorption strength geometry sensitizer molecules on anatase (101) surface. Additionally, substituent absorption signals...

Strongly blue fluorescent 1-phenyl-2-(pyridin-2-yl)-1<italic>H</italic>-phenanthro[9,10-<italic>d</italic>]imidazole (<bold>L1</bold>) is a facile block for the construction of multichromophore organic molecules, and simultaneously serves as chelating diimine ligand.

New dinuclear ortho-metalated palladium(II) compounds with N,N′-diarylformamidinates, Pd2[(C6H4)PPh2]2[R′NC(H)NR′]2 (R′ = C6H5, 3a; R′ p-CH3C6H4, 3b; p-CH3OC6H4, 3c) and N,O-donor ligands, Pd2[(C6H4)PPh2]2[N,O]2 (N,O succinimidate (5), phtalimidate (6), 2-hydroxypyridinate (7), acetanilidate (8)) have been synthesized characterized by NMR spectroscopy X-ray diffraction methods. The oxidation iodobenzene dichloride gave new rare Pd26+ compounds, Pd2[(C6H4)PPh2]2[R′NC(H)NR′]2Cl2 4a; 4b). DFT...

New dinuclear palladium(III) compounds of general formula Pd2[(C6H4)PPh2]2[N-S]2Cl2, N-S being 2-mercaptopyridinate, 3a; 2-mercapto-6-methylpyridinate, 3b; 2-quinolinethiolate, 3c; 2-mercaptopyrimidinate, 3d; 1-methyl-1H-imidazole-2-thiolate, 3e; 1-methyl-1H-benzimidazole-2-thiolate, 3f; 2-mercaptobenzothiazolate, 3g and 5-mercapto-1-methyltetrazolate, 3h have been obtained by oxidation with PhICl2 the corresponding palladium(II) counterparts. The stability new has studied (31)P NMR...