![Loading...](https://link.springer.com/static/c4a417b97a76cc2980e3c25e2271af3129e08bbe/images/pdf-preview/spacer.gif)
-
Article
Synthesis and study of new photochromic halogen-substituted spiropyrans of the indoline series
New indoline spiropyrans containing chlorine and bromine atoms in position 5 of the indoline moiety of the molecule as a substituent were synthesized and studied. The structures of the synthesized compounds we...
-
Article
Binuclear iron tetranitrosyl complexes with m- and p-methoxybenzenethiolate and naphthalene-2-thiolate ligands: synthesis, structure, and properties
Three new binuclear iron tetranitrosyl complexes with m- and p-methoxybenzenethiolate and naphthalene-2-thiolate ligands were synthesized. The crystals of the new complexes were characterized by X-ray diffraction...
-
Article
Exchange interaction of Mo with 3d and 4d metals in complexes with dithiooxamide: a theoretical modeling
Quantum chemical calculations of the molecular and electronic structure of the complexes [(L)2M13+(L)M22+(L)2]5− (M13+ is the Mo ion in the oxidation state +3; M22+ is the 3d and 4d transition-metal (Fe, Ru, Rh, ...
-
Article
Quantum chemical study of the unusual structure of 3d metal complexes in the gas phase
Based on the previous experimental and theoretical studies of the unusual dome-shaped structures of Pd II and NiII 3,5-di(tert-butyl)-2-oxyazobenzene complexes, gas-phase quantum chemical calculations were perfor...
-
Article
Amazing example of the retention of an unusual domed structure of PdII 3,5-di(tert-butyl)-2-oxyazobenzene in the crystal and gas phase
The structure of the newly synthesized palladium(ii) 3,5-di(tert-butyl)-2-oxyazobenzene, PdL2, was determined by X-ray diffraction. The metal chelate was found to adopt an unusual domed conformation, with the tra...
-
Article
Synthesis of oxalic acid derivatives and their antitumor activity in experiments in vivo
A series of amino acid derivatives of oxalic acid were obtained. In combination therapy with conventional cytostatics used in lower doses, the new compounds substantially increase the efficacy of the drugs in ...
-
Article
Structural studies of 1,3-oxazolidine-containing spiropyrans
New 3’-(4-chlorophenyl)-5’,5’-dimethyl-2’-oxospiro[(2H)-chromene-2,4’-1,3-oxazolidine] was synthesized to study the donor influence of the chlorine atom at the N-phenyl substituent on the structure and photochrom...
-
Article
Benzoid–Quinoid tautomerism of schiff bases and their structural analogs: LVII. 2-[(3-oxo-5-phenylpyrazolidin-1-yl)methylidene]-1H-indene-1,3(2H)-dione
Potentially tautomeric azomethine imide, 2-[(3-oxo-5-phenylpyrazolidin-1-yl)methylidene]-1H-indene- 1,3(2H)-dione, has been synthesized by condensation of 5-phenylpyrazolidin-3-one with 2-(hydroxymethylidene)-1H-...
-
Article
Benzenoid-quinoid tautomerism of azomethines and their structural analogs 56. Azomethine imines, derivatives of salicylic and 2-hydroxynaphthoic aldehydes
A study by IR, electronic and NMR (1Н and 13С) spectroscopy together with X-ray structure analysis and quantum chemical calculations using DFT B3LYP/6-31G(d,p) determined N,N´-cyclic azomethine imines — 1-(2-hydr...
-
Article
Thiacalix[4]arene-containing M2Ln2 complexes (M = MnII, CoII; Ln = EuIII, PrIII): synthesis, structure, and magnetic properties
Three new representatives of thiacalix[4]arene-containing tetranuclear 3d-4f metal complexes with the M2Ln2 fragment (M = MnII, CoII; Ln = EuIII, PrIII) were synthesized. Their molecular and crystal structures we...
-
Article
Quantum chemical study of the Cspiro-O bond dissociation in spiropyran molecules
To study the possibility of photochromic transformations in the crystals of bifunctional compounds, quantum chemical B3LYP/6-31G(d) calculations of the Cspiro-O bond dissociation energies were carried out with th...
-
Article
Synthesis, structure, and properties of a new representative of the family of calix[4]arene-containing [MnII 2MnIII 2]-clusters
A new representative of calix[4]arene-containing tetranuclear manganese complexes of the [MnII 2MnIII 2] type was obtained. According to the data of magnetoochemical studies, the c...
-
Article
Synthesis, structure, and biological activity of the cis-[4-amino-2,2,6,6-tetramethylpiperidine-N,N′]dichloropalladium(ii) complex
A previously unknown palladium complex was synthesized by the reaction of 4-amino-2,2,6,6-tetramethylpiperidine with PdCl2. The X-ray diffraction study showed that the complex formed by 4-amino-2,2,6,6-tetramethy...
-
Article
Synthesis, crystal structure, and antitumor activity of the cadmium dichloride complex with semicarbazide
The chelate cadmium dichloride complex with semicarbazide was synthesized. The use of this complex in the cytostatic combination therapy together with cyclophosphamide results in 67% survival of mice and a thr...
-
Article
New photochromic 1,1,3-trimethylspiro[benzo[e]indoline-2,3′-[3H]-pyrano[3,2-f]quinoline]
A new photochromic spiropyran of the benzoindoline series containing the quinoline moiety was synthesized. Its structure was determined by IR and 1H NMR spectroscopy. The crystal structure of the new compound was...
-
Article
Structure and properties of 3,6′-dimethyl-2,3-dihydrospiro-[naphtho[1,3]oxazine-2,2′-[2H]-chromen]-4-ones
New spiropyrans of the naphthoxazinone series containing structurally different hetarene moieties were synthesized. The structures of all resulting compounds were preliminary investigated by IR and 1H NMR spectro...
-
Article
Magnetic exchange coupling in transition metal complexes with bidentate bridging ligands: a quantum chemical study
The exchange coupling constants (J) were calculated and the spin density distributions were analyzed in the B3LYP/TZV approximation for the complex anions [L2M(1)IIILM(2)IIL2] n−, where L is lig...
-
Article
Photochromic and thermochromic spiranes 33. Synthesis of a new indolinonaphthoxazino- bisspiropyran and investigation of its photochromic characteristics
A new unsymmetrical bisspiropyran was synthesized on the basis of 2,4-dihydroxyisophthalic aldehyde with naphthoxazinone and indoline fragments in the structure. The structure of the obtained compound was prov...
-
Article
Quantum chemical interpretation of different types of exchange magnetic interactions in dinuclear copper azomethine chelates
B3LYP/LANL2DZ calculations of two series of isomeric dinuclear copper chelates based on the tridentate dibasic salicylaldimines from aromatic and heterocyclic amines were performed. According to calculations, ...
-
Article
Photo- and thermochromic spiranes 32*. Synthesis and photochromism of 3-methyl-4-oxospiro(2,3-dihydronaphtho-[2,1-e]-1,3-oxazine-2,2'-[2H]-chromenes)
Spiropyrans of the naphthoxazinone series have been obtained containing various substituents in the [2H]-chromene portion of the molecule. The spatial structure of a spiropyran containing ortho-positioned hydr...