Tatiana Timofeeva

Tatiana Timofeeva
New Mexico Highlands University · Biology and Chemistry

About

354
Publications
17,080
Reads
How we measure 'reads'
A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text. Learn more
4,950
Citations
Introduction

Publications

Publications (354)
Article
Full-text available
A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2 H -7λ ⁵ -[1,3]dioxolo[4,5- g ]isoquinolino[3,2- a ]isoquinolin-7-ylium chloride methanol monosolvate, C 20 H 18 NO 4 ⁺ ·Cl ⁻ ·CH 3 OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol. The berberine cations form dimers, which are further pac...
Article
Full-text available
Copper(II) complexes with 1,1,1-trifluoro-4-(4-methoxyphenyl)butan-2,4-dione (HL1) were synthesized and characterized by elemental analysis, FT-IR spectroscopy, and single crystal X-ray diffraction. The biological properties of HL1 and cis-[Cu(L1)2(DMSO)] (3) were examined against Gram-positive and Gram-negative bacteria and opportunistic unicellul...
Article
[RuCp*(1,4-(Me 2 N) 2 C 6 H 4 )] 2 is formed as mixture of stereoisomers with very different properties. One has the usual “ exo , exo ” structure and is air sensitive, while the unprecedented “ exo , endo ” isomers are more air-stable, yet stronger reductants.
Article
Full-text available
The geometry of the title molecule [systematic name: 2-(2-nitrophenyl)-4 H -chromen-4-one], C 15 H 9 NO 4 , is determined by two dihedral angles formed by the mean plane of phenyl ring with the mean planes of chromone moiety and nitro group, being 50.73 (5) and 30.89 (7)°, respectively. The crystal packing is determined by π–π interactions and C—H....
Article
Crystallization from solutions containing 2,2'-[naphthalene-1,8:4,5-bis(dicarboximide)-N,N'-diyl]-bis(ethylammonium) diiodide ((NDIC2)I2) and PbI2 has been investigated. Eight different materials are obtained, either by variation of crystallization conditions or by subsequent thermal or solvent-induced transformations. Crystal structures have been...
Article
Full-text available
The title compound DBNB, C24H20N2O6, has been crystallized and studied by X-ray diffraction, spectroscopic and computational methods. In the title molecule, which is based on a 1,4-distyryl-2,5-dimethoxybenzene core with p-nitro-substituted terminal benzene rings, the dihedral angle between mean planes of the central fragment and the terminal pheny...
Article
Full-text available
The two isomers 2 0-(4-nitrobenzoyloxy)acetophenone (systematic name: 2-acetylphenyl 4-nitrobenzoate) (I) and 2 0-(2-nitrobenzoyloxy)acetophenone (systematic name: 2-acetylphenyl 2-nitrobenzoate) (II), both C 15 H 11 NO 5 , with para and ortho positions of the nitro substituent have been crystallized and studied. It is evident that the variation in...
Article
Full-text available
The crystal structures of the charge‐transfer (CT) cocrystals formed by the π‐electron acceptor 1,3,4,5,7,8‐hexafluoro‐11,11,12,12‐tetracyanonaphtho‐2,6‐quinodimethane (F6TNAP) with the planar π‐electron‐donor molecules triphenylene (TP), benzo[b]benzo[4,5]thieno[2,3‐d]thiophene (BTBT), benzo[1,2‐b:4,5‐b′]dithiophene (BDT), pyrene (PY), anthracene...
Article
The crystallization from different solvents of homologs of 1,3-diethyl-2-thiobarbituric acid and p-dimethylaminobenzene with different length of polymethine bridge between donor and acceptor groups (TB[n]) produced three pairs of polymorphs with number of C=C bonds in the chain n=1, 3 and 5. The homologs with the shortest (one methine unit) π-conju...
Article
The three organic two-photon-absorbing cycloalkanone chromophores 2,4-bis-[4-(diethylamino)benzylidene]cyclobutanone, C 26 H 32 N 2 O (I), 2,5-bis[4-(diethyl-amino)benzylidene]cyclopentanone, C 27 H 34 N 2 O (II), and 2,6-bis[4-(diethyl-amino)benzylidene]cyclohexanone, C 28 H 36 N 2 O (III), were obtained by a reaction between 4-(diethylamino)benza...
Article
Full-text available
The title pull–push chromophores, 2-[4-(dimethylamino)benzylidene]-1 H -indene-1,3(2 H )-dione, C 18 H 15 NO 2 (ID[1]) and ( E )-2-{3-[4-(dimethylamino)phenyl]allylidene}-1 H -indene-1,3(2 H )-dione, C 20 H 17 NO 2 (ID[2]), have donor–π-bridge–acceptor structures. The molecule with the short π-bridge, ID[1], is almost planar while for the molecule...
Article
Full-text available
The title compound, C 4 H 12 N ⁺ ·C 11 H 5 N 4⁻ , contains one tetramethylammonium cation and one 1,1,7,7-tetracyanohepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all- trans conjugated C=C bonds conformation. Two terminal C(CN) 2 dinitrile moieties are slightly twisted from the polymethine main chain to which they are attache...
Article
Full-text available
Two compounds, 1,3-diethyl-5-{(2 E ,4 E )-6-[( E )-1,3,3-trimethylindolin-2-ylidene]hexa-2,4-dien-1-ylidene}pyrimidine-2,4,6(1 H ,3 H ,5 H )-trione or TMI, C 25 H 29 N 3 O 3 , and 1,3-diethyl-2-sulfanylidene-5-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]dihydropyrimidine-4,6(1 H ,5 H )-dione or DTB, C 21 H 25 N 3 O 2 S, have been crystallized a...
Article
Full-text available
A new polymorph of the title compound, C 10 H 13 NO, was obtained by recrystallization of the commercial product from a water/ethanol mixture (1:1 v / v ). Crystals of the previously reported racemic and homochiral forms of 2-phenylbutyramide were grown from water–acetonitrile solution in 1:1 volume ratio [Khrustalev et al. (2014). Cryst. Growth De...
Article
Structural and spectroscopic characteristics of merocyanine dyes are important because of their potential applications in optoelectronics and sensors. Herein we report synthesis, X-ray diffraction characterization of crystal structure, spectroscopic and NMR studies of four merocyanine dyes which, according to their strong donor-acceptor structure,...
Article
Full-text available
Brønsted acid catalyzed condensations of meso-erythritol with aldehyde/ketones were studied using meso-erythritol:aldehyde/ketone 1:3 ratio in a Dean–Stark apparatus. The selectivity among bis-ketal and 1,3-dioxolane-ether formation can be achieved by choosing between homogeneous and heterogeneous catalysts. The catalysts could be reused without ap...
Article
Both organic hydride donors, DH, and the dimers formed by some organic radicals and by some 19-electron organometallic sandwich compounds, D 2 , have recently been examined extensively as n-dopants for organic semiconductors. This properties of two classes of organometallic DH derivatives – organic DH derivatives with metallocenyl substituents and...
Article
Co-crystals series of different mono- and diaminopyridines non-centrosymmetric complexes, namely 3,4-diaminopyridine-4-nitrophenol-4-nitrophenolate, 2,6-diaminopyridine-4-nitrophenol-4-nitrophenolate and 2-aminopyridine-4-nitrophenol-4-nitrophenolate were grown by slow solvent evaporation from solution with constant temperature technique. Terahertz...
Article
Full-text available
The aggregation of chalcogenopyrylium‐terminated heptamethine dyes in high‐chromophore density films can be substantially suppressed by attachment of rigid, bulky substituents that project out of the plane of the conjugated π‐system of the dye, allowing the retention in the solid state of favorable linear and nonlinear optical properties relevant t...
Article
As solid drugs may be regarded as “pharmaceutical materials”, molecular pharmaceutics of such drugs is expected to benefit from application of materials science concepts. In this paper, we used a structural chemistry approach to explain the dramatic difference in solubility between two structurally related antiepileptic drugs, N -carbamoyl-2-phenyl...
Article
In this investigation, the synthesis and photophysical properties of a series of new chromophores featuring Pt(II) σ-bonded to perylenediimide (PDI) cores are reported. A Pt(PPh3)2X (X = Cl, Br) moiety was attached to PDI in either the ortho or the bay position (2- or 1-positions respectively) or a Pt(PPh3)2 subunit was used to bridge two bay posit...
Article
The Z and E isomers of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile, C 17 H 13 Br 3 N 2 , ( 1 ), were obtained simultaneously by a Knoevenagel condensation between 4-(dimethylamino)benzaldehyde and 2-(2,4,6-tribromophenyl)acetonitrile, and were investigated by X-ray diffraction and density functional theory (DFT) quantum-chemic...
Article
Reaction of (3aRS,6SR,7aRS)-6-substituted 2-phenyl-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-ones (1–3) with ICl (or Br2) in CH2Cl2 yields to halogenated Wagner-Meerwein rearrangement products, 4,5- (or 4,5,6)-halo-2-phenyloctahydro-4,6-epoxycyclopenta[c]pyridin-1-ones, with moderate yields (40–43%) of 4–6. All these polyhalogenated compounds ar...
Article
Two intermediate-sized donor molecules, BBTz-X and BDT-X, have been synthesized by the Stille coupling between 4-(4,4-bis(2-ethylhexyl)-6-(trimethylstannyl)-4H-silolo[3,2-b:4,5-b′]dithiophen-2-yl)-7-(5′-hexyl-[2,2′-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine and either 4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-2,6-diiodobenzo[1,2-d:4,5-d′]bis(...
Article
Mixed co-crystals derived from electron-rich donor (D) and electron-deficient acceptor (A) molecules showcase electronic, optical, and magnetic properties of interest for a wide range of applications. Here, we explore the structural and electronic properties of a co-crystal synthesized from dithieno[3,2-a:2',3'-c]phenazine (DTPhz) and 7,7,8,8-tetra...
Article
3-Ethyl-3-phenylpyrrolidin-2-one (EPP) is an experimental anticonvulsant based on the newly proposed α-substituted amide group pharmacophore. These compounds show robust activity in animal models of drug-resistant epilepsy and are thus promising for clinical development. In order to understand pharmaceutically relevant properties of such compounds,...
Article
A co-crystallization of three drug molecules, niacin (3-pyridine-carboxylic acid=NIA), allopurinol (pyrazolo(3,4-d)pyrimidin-4-one=ALP), and amiloride (3,5-diamino-6-chloro-pyrazine-2-carbonyl)-guanidine=AMI) with the same co-former, 2,4-pyridinedicarboxylic acid (PDA), resulted in three new crystalline products, (NIA)(PDA) (1), (ALP)2(PDA).1.5H2O...
Conference Paper
Z-scan and linear loss measurements on polymethine-polymer blends with varied chalcogens and hosts confirm polymethine aggregation as the primary interaction influencing solid-state NLO properties for ultrafast all-optical signal-processing.
Article
Full-text available
Organic nonlinear optical (ONLO) chromophores are used to make electro-optic devices. Traditional ONLO chromophores use a π-conjugated bridge to couple the electron acceptor and donor moieties. We have explored whether other types of conjugation can be used to make high-performance ONLO chromophores. We have found that cross-conjugated bridge struc...
Article
The thermal cyclization of 5-(2-phenoxymethylphenyl-methylene)barbituric acid and its derivatives affords 2,4,6-trioxoperhydropyrimidine-5-spiro-3′-chromanes. The reactions require no catalysts and proceed at temperatures from 118 to 240 °C depending on the substrate activity. These cyclization reactions are analogous to T-reactions of tertiary ami...
Article
Full-text available
In the title molecular salt, C 6 H 16 NO ⁺ ·Cl ⁻ , two of the C—C—N—O groups in the cation adopt a gauche conformation [torsion angles = 62.86 (11) and −54.95 (13)°] and one an anti conformation [−177.82 (10)°. The cation and anion are linked by an O—H...Cl hydrogen bond. The extended structure displays C—H...Cl and C—H...O hydrogen bonds, resultin...
Article
Crystalline products of the reactions of piperazine (PZ) solutions with CO2 sourced from the air and dry ice represent three carboxamides of piperazine, piperazinium carboxamide trihydrate (PZH⁺CO2⁻)·3H2O, piperazinium piperazine-4-carboxamide (PZH⁺)(PZCO2⁻), and bis-(piperazinium) piperazine-1,4-bis(carboxamide) trihydrate (PZH⁺)2(PZ(CO2⁻)2)·3H2O,...
Article
Compounds with polarizable π systems that are susceptible to attack with nucleophiles at C-Hal (Hal = Cl, Br) bonds react with Pd(PPh3)4 to yield net oxidative addition. X-ray structures show that the resulting Pd(PPh3)2Hal groups greatly reduce intermolecular π-π interactions. The Pd-functionalized dyes generally exhibit solution-like absorption s...
Article
Full-text available
A solvent co-crystallization of three 2-aminopyridine derivatives, 2-aminopyridine (AP), 2-amino-6-methylpyridine (AMP), and 2,6-diaminopyridine (DAP) with the odd-membered propane-1,3-dicarboxylic acid (C5H12O4 = GAH2, glutaric acid) resulted in six ionic crystalline products, (HAP)(GAH) (1), (HAMP)(GAH) (2, 3), (HDAP)(GAH) (4), (HDAP)2(GA) (5), a...
Article
[Figure not available: see fulltext.] The reactions of 5-substituted furfurylamines with anhydrides of α,β-unsaturated carboxylic acids (acryloyl chloride and maleic anhydride) were studied. The first step of the reaction mechanism involved acylation of furfurylamine nitrogen atom, followed by a stereospecific, spontaneous intramolecular Diels–Alde...
Article
Full-text available
The title three-dimensional metal–organic framework (MOF) compound, {(NH 4 ) 2 [Zn 2 (C 9 H 3 O 6 ) 2 ]·2C 5 H 9 NO} n , features an anionic framework constructed from Zn 2+ cations and benzene-1,3,5-tricarboxylate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di- n -butylamine in the s...
Article
Mo(S2C2(CF3)2)3, 1a, has proven a useful p-dopant in organic electronics. To develop more soluble p-dopants, MoS92- was treated with alkynes CF3CCCO2Me and CF3CCCOCF3 to give the dianions of the corresponding tris(dithiolene) complexes, 1b2- and 1c2- , respectively, which were then oxidized to neutral molybdenum tris[1-(methoxycarbonyl)-2-(trifluor...
Article
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 n...
Article
Pyrene was derivatized in positions 1, 3, 6, and 8 to yield a series of nine tetraarylpyrenes for which absorption, emission, emission lifetimes and solvatochromism in solution were determined. The fluorescence quantum yields in thin films and crystalline state, electrochemistry, and quantum-chemical calculations were completed for the series along...
Article
Electron acceptors are important components of π-conjugated materials, but the strong electron-withdrawing properties of the required synthetic intermediates often make them poor substrates in synthetic schemes designed around conventional organometallic cross-coupling. Here, strong benzodiimine-based acceptors, including 5,6-difluoro[2,1,3]benzoth...
Article
Full-text available
The title compound, [Hg 3 (C 6 F 4 ) 3 ]·C 6 N 4 , contains one molecule of tetracyanoethylene B per one molecule of mercury macrocycle A , i.e. , A•B , and crystallizes in the monoclinic space group C 2/ c . Macrocycle A and molecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supramolecul...
Article
Five binary adducts between N,N-dimethyl-4-[(E)-2-(pyridin-4-yl)ethenyl]aniline) 1, N,N-diethyl-4-[(E)-2-(pyridin-4-yl)ethenyl]aniline) 2, N,N-dimethyl-4-[(E)-pyridin-3-yldiazenyl]aniline 3, and coformers that include 4-nitrophenol I, 4-nitrobenzoic acid II, benzene-1,3-diol III, and 2,4-dinitrophenol IV were synthesized to follow the factors influ...
Article
Full-text available
Four N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones (NH 1, NMe 2, NEt 3, NCH2Ph 4) were prepared by aldol condensation between ferrocenecarbaldehyde and two equivalents of N-substituted piperid-4-ones with high yields. The N-protonated compounds were obtained by reaction with HBF4·Et2O acid. The molecular structures of compounds 2, 3, 2...
Article
The formation of the mixed-stack donor–acceptor complex of dithieno [3,2-b:2′,3′-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs – mixed-stack complexes with a 1:1 donor–acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and di...
Article
The paper reports synthesis and co-crystallization of 5 co-crystal of 4-nitrophenol (4N) with five different monoand diaminopyridines (4-aminopyridine (4AP); 3,4-diaminopyridine (34DAP); 2-amino-6-methylpyridine (26MAP); 2,6-diaminopyridine (26DAP); 2-aminopyridine (2AP)) resulted in five adducts with the molar ratio of components 2:1 in final comp...
Article
Dimers of 2-substituted N,N'-dimethylbenzimidazoline radicals, (2-Y-DMBI)2 (Y=cyclohexyl (Cyc), ferrocenyl (Fc), ruthenocenyl (Rc)), have recently been reported as n-dopants for organic semiconductors. Here their structural and energetic characteristics are reported, along with the mechanisms by which they react with acceptors, A (PCBM, TIPS-pentac...
Article
Full-text available
The solvothermal synthesis of framework isomers was carried out using the hybrid carboxylate and tetrazolate functional ligand, 4-tetrazolyl benzenecarboxylic acid (H2TBC, TBC = 4-tetrazolyl benzenecarboxylate) and zinc. H2TBC was also synthesized with the solvothermal approach, and is referred herein as structure 1. Using single-crystal X-ray diff...
Article
Five potential charge transfer complexes of trimeric perfluoro-o-phenylene mercury (I) with tetrathiafulvalene (TTF) and tetramethyltetraselenefulvalene (TMTSF) were grown from different solvent mixtures. The adducts (I)2∙TTF (1) and I∙TTF (2) were grown by slow evaporation from the 1:1 mixture of dichloromethane (CH2Cl2, DCM) and carbon disulfide...
Article
The dimers of some Group 8 metal cyclopentadienyl/arene complexes and Group 9 metallocenes can be handled in air, yet are strongly reducing, making them useful n-dopants in organic electronics. In this work, the X-ray molecular structures are shown to resemble those of Group 8 metal cyclopentadienyl/pentadienyl or Group 9 metal cyclopentadienyl/die...
Article
The molecular and crystal structures of two energetic fused furazans, 4H,8H-bis-furazano[3,4-b:3',4'-e]pyrazine (1) and 4H,9H-bisfurazano[3,4-b:3',4-g]-pyrazino[2,3-e]pyrazine (2), have been studied by single crystal X-ray diffraction analysis. These materials were found to have rather high crystal densities for organic compounds (2.032 and 1.882 g...
Article
A series of metal-organic frameworks (MOFs), {Zn-BTC}{cations}, which contain anionic Zn-BTC coordination polymers, is reported here. It was observed that cations with different hydrogen-bond forming abilities could significantly affect the coordination of Zn-BTC structures in the frameworks. The 13 Zn-BTC MOFs reported herein showed solid-state fl...
Conference Paper
The luminescent properties of lanthanides have been evident for a long time. Despite this, the increased interest in two-photon absorption has not provided many practical avenues to access these long-lived luminescent signals. This study took on the synthesis and characterization of a novel fluorene-based donor-acceptor ligand and a series of lanth...
Article
The synthesis of the first ring-functionalized heliphenes is described, comprised of angular 1,2-di-, 2,3-di-, and 1,2,15,16-tetrachloro[6] phenylene, via a series of Sonogashira couplings and cobalt-catalyzed alkyne cyclotrimerization steps. These molecules are explored as potential precursors to antikekulene and their reactivity compared to that...
Article
Full-text available
In an attempt to grow 8-hy-droxy-quinoline-acetamino-phen co-crystals from equimolar amounts of conformers in a chloro-form-ethanol solvent mixture at room temperature, the title compound, C9H7NO, was obtained. The mol-ecule is planar, with the hy-droxy H atom forming an intra-molecular O-H⋯N hydrogen bond. In the crystal, mol-ecules form centrosym...