Contents

Journal of Structural Chemistry


Vol. 65, No. 1, 2024


Structural Elucidation, Hirshfeld Surface, FMO, Molecular Electrostatic Potential (MEP) and Fukui Function Analyses of a Quinoline Based Schiff Base Compound

S.Halder, P.C.Mandal, M.Guin, and S.Konar p. 1  abstract

Serendipitous Synthesis of an Octahedral Ni(II) Complex: Single Crystal Structure, Hirshfeld Surface and Voids Analysis

T.Göktürk, C.G.Topkaya, T.Hökelek, and R.Güp p. 15  abstract

An Antipyrine Based Fluorescent Probe and Selective Detection of Hg2+ AND Ag+

Y.Zhou, J.-W.Cao, and D.-H.Zhang p. 28  abstract

Superstoichiometric Oxygen and Structural Instability of Ferrite CaBaFe4O7: ab Initio Approach

A.Yu.Suntsov, V.P.Zhukov, and V.L.Kozhevnikov p. 36  abstract

Convenient and Green Synthesis of Pom-Coated Gold Nanostructures and Photocatalytic Activity under Visible Light

R.Tan, Y.Li, Q.Wang, Y.Guo, and J.Wang p. 48  abstract

Synthesis and Structure of the Mononuclear Zinc Complex with 4-Biphenylcarboxylate Anions and 1,10-Phenanthroline

A.S.Samulionis, S.N.Melnikov, A.A.Pavlov, A.A.Starikova, N.V.Gogoleva, S.A.Nikolaevskii, M.A.Kiskin, and I.L.Eremenko p. 63  abstract

Halogen Bonds in the Structure of Tetrabromophenylbutane

G.G.Korablev, P.V.Dorovatovskii, A.N.Efremov, A.A.Osipov, K.Rajakumar, S.A.Nayfert, and D.A.Zherebtsov p. 75  abstract

Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?

S.S.Borisevich, K.P.Volcho, and N.F.Salakhutdinov p. 82  abstract

A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study

M.Kurbanova, M.Ashfaq, A.Sadigova, M.Feizi-Dehnayebi, A.Maharramov, and M.N.Tahir p. 92  abstract

Influence of Oxygen Nonstoichiometry on the Structural Stability of La1–xCaxMn0.5Co0.5O3 Complex Oxides (x = 0.2–0.6) Subjected to Heat Treatment in He

A.V.Kapishnikov, Yu.N.Bespalko, E.I.Shuvarakova, S.V.Tsybulya, L.A.Isupova, and E.Yu.Gerasimov p. 107  abstract

New Polymorph of 1,3-Bis(2,6-di-isopropylphenyl)-4,5-Dichloroimidazole-2-Ylidene and a Cobalt Complex with this Compound

P.A.Petrov, S.A.Nikolaevskii, E.A.Filippova, N.B.Kompankov, T.S.Sukhikh, M.A.Kiskin, M.N.Sokolov, and I.L.Eremenko p. 117  abstract

Modification of Physicochemical Properties of Platinum-Titanium Catalysts for Ammonia Slip Oxidation

L.S.Kibis, D.A.Svintsitskiy, I.Yu.Ovsyuk, T.Y.Kardash, A.V.Romanenko, and A.I.Boronin p. 125  abstract

Synthesis of KGd2F7:Yb:Er Luminophores by Co-Precipitation from Aqueous Solutions

A.S.Zakharova, A.A.Alexandrov, D.V.Pominova, P.P.Fedorov, S.V.Kuznetsov, and V.K.Ivanov p. 138  abstract

Mutual Adjacency of Components Molecules in Aqueous TBA and TMAO Solutions

V.A.Nichiporenko, E.D.Kadtsyn, and N.N.Medvedev p. 149  abstract

A New Phase of the Octahedral Tellurium-Iodine Cluster Complex of Rhenium

E.D.Novikova, D.I.Konovalov, A.A.Ivanov, N.V.Kuratieva, and M.A.Shestopalov p. 160  abstract

Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K

P.S.Serebrennikova, V.Y.Komarov, V.A.Trifonov, A.V.Panchenko, and S.A.Gromilov p. 169  abstract

Rhenium Cluster Complexes with Polyborohydride Anions, [Re6S8(Me2PzH)6]X (X = B10H10, B12H12)

M.P.Davydova, T.S.Sukhikh, M.I.Rakhmanova, K.A.Brylev, and A.V.Artem’ev p. 186  abstract

Synthesis, Single Crystal X-Ray, Hirshfeld Surface Analysis and DFT Calculation Based NBO, HOMO–LUMO, MEP, ECT and Molecular Docking Analysis of N′-[(2,6-Dichlorophenyl)Methylidene]-2-{[3-(Trifluoromethyl)Phenyl]Amino}Benzohydrazide

A.Suhta, S.Saral, U.Çoruh, S.Karakuş, and E.M.Vazquez-Lopez p. 196  abstract