Výsledky vyhledávání - "Damir A. Safin"

Akademický článek

Computational studies of a series of closely related acenaphthopyrazine derivative

Autor: Rebaz Anwar Omer, Rebaz Obaid Kareem, Yousif Hussein Azeez, Lana Omer Ahmed, Damir A. Safin, karukh Ali Babakr

Publikováno v: Results in Surfaces and Interfaces, Vol 17, Iss , Pp 100308- (2024)

The novelty of the study is in the use of quantum computing analysis of acenaphthopyrazine derivatives using Density Functional Theory (DFT) with the B3LYP/6-31G(d,p) basis set. The research focused on intramolecular charge transfer (ICT) and its inf

Externí odkaz: https://doaj.org/article/dca912185d7e4915ab5a99a05c69db37

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Akademický článek

Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

Autor: Alexey A. Shiryaev, Tatyana M. Burkhanova, Mariusz P. Mitoraj, Mercedes Kukulka, Filip Sagan, Ghodrat Mahmoudi, Maria G. Babashkina, Michael Bolte, Damir A. Safin

Publikováno v: IUCrJ, Vol 8, Iss 3, Pp 351-361 (2021)

This work reports on synthesis and extensive experimental and theoretical investigations on photophysical, structural and thermal properties of the NiII and CuII discrete mononuclear homoleptic complexes [Ni(LI,II)2] and [Cu(LI,II)2] fabricated from

Externí odkaz: https://doaj.org/article/a7447fd55d2b4f3ca13e99240059b0c5

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Akademický článek

Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins

Autor: Elizaveta V. Panova, Julia K. Voronina, Damir A. Safin

Publikováno v: Pharmaceuticals, Vol 16, Iss 2, p 286 (2023)

We report two complexes [Cu(LI)2] (1) and [Cu(LII)2] (2) (HLI = N-cyclohexyl-3-methoxysalicylideneimine, HLII = N-cyclohexyl-3-ethoxysalicylideneimine). The ligands in both complexes are trans-1,5-N,O-coordinated, yielding a square planar CuN2O2 coor

Externí odkaz: https://doaj.org/article/3e7537e9e6524ee2a04b168853eef30e

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Akademický článek

A Family of Ethyl N-Salicylideneglycinate Dyes Stabilized by Intramolecular Hydrogen Bonding: Photophysical Properties and Computational Study

Autor: Larisa E. Alkhimova, Maria G. Babashkina, Damir A. Safin

Publikováno v: Molecules, Vol 26, Iss 11, p 3112 (2021)

In this work we report solvatochromic and luminescent properties of ethyl N-salicylideneglycinate (1), ethyl N-(5-methoxysalicylidene)glycinate (2), ethyl N-(5-bromosalicylidene)glycinate (3), and ethyl N-(5-nitrosalicylidene)glycinate (4) dyes. 1–

Externí odkaz: https://doaj.org/article/c603862f2f754a18ae44d39351c8ec2f

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Akademický článek

Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide

Autor: Ghodrat Mahmoudi, Marjan Abedi, Simon E. Lawrence, Ennio Zangrando, Maria G. Babashkina, Axel Klein, Antonio Frontera, Damir A. Safin

Publikováno v: Molecules, Vol 25, Iss 18, p 4056 (2020)

A new supramolecular Pb(II) complex [PbL(NO2)]n was synthesized from Pb(NO3)2, N’-(1-(pyridin-2-yl)ethylidene)isonicotinohydrazide (HL) and NaNO2. [PbL(NO2)]n is constructed from discrete [PbL(NO2)] units with an almost ideal N2O3 square pyramidal

Externí odkaz: https://doaj.org/article/2e04a75d709b4147a6244829336e268e

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Akademický článek

4-Bromo-N-(diisopropoxyphosphoryl)benzamide

Autor: Christoph E. Strasser, Xia Sheng, Damir A. Safin, Helgard G. Raubenheimer, Robert C. Luckay

Publikováno v: Acta Crystallographica Section E, Vol 65, Iss 11, Pp o2926-o2926 (2009)

In the title compound, C13H19BrNO4P, the crystal structure is stabilized by intermolecular N—H...O hydrogen bonds between the phosphoryl O atom and the amide N atom which link the molecules into centrosymmetric dimers. These dimers are further pack

Externí odkaz: https://doaj.org/article/7ca83b56802049f3bb7136c0d4361b99

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Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands

Autor: Isabel García-Santos, Rosa M. Gomila, Damir A. Safin, Alfonso Castiñeiras, Ghodrat Mahmoudi, Ennio Zangrando, Maria G. Babashkina, Antonio Frontera

Publikováno v: CrystEngComm. 24:368-378

In this work we report on new heteroleptic coordination compounds [Pb2(LI)2](NO3)2∙2MeOH (1), [Pb2(LII)2](NO3)2 (2), [Pb2(LIII)2](NO3)2∙MeOH∙H2O (3) and [Pb2(LIII)2(H2O)](NCS)2 (4), which were obtained through self-assembling of 2-(amino(pyridi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3a3c715d8cec6dd2a0b9fd200fc77f1f
https://doi.org/10.1039/d1ce01251g

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Quasi-aromatic Möbius chelates of cadmium(ii) nitrite and/or nitrate

Autor: Ghodrat Mahmoudi, Vali Alizadeh, Alfonso Castiñeiras, Farhad Afkhami, Mariusz P. Mitoraj, Dariusz W. Szczepanik, Irina A. Konyaeva, Koen Robeyns, Damir A. Safin

Publikováno v: CrystEngComm. 24:2836-2844

The two new quasi-aromatic Möbius coordination compounds have been obtained and extensively characterized by experimental and computational approaches.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f1083c508ae09c6c0364479e0c03a49
https://doi.org/10.1039/d2ce00046f

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