A DFT prediction on the chemical reactivity of novel azolethione derivatives as chelating agents: Implications for copper minerals flotation and copper corrosion …

X Yang, Y Huang, G Liu, J Liu, L Ma, X Niu… - Journal of the Taiwan …, 2018 - Elsevier
Azolethione derivatives have attracted much attention in coordination chemistry, but their
engineering applications as metal corrosion inhibitors or flotation collectors remain …

Enhanced Iodine Capture Using a Postsynthetically Modified Thione–Silver Zeolitic Imidazole Framework

MB Kim, J Yu, SH Ra Shin, HM Johnson… - … Applied Materials & …, 2023 - ACS Publications
Efficient management of radionuclides that are released from various processes in the
nuclear fuel cycle is of significant importance. Among these nuclides, radioactive iodine …

Mn (II) catalyzed synthesis of 5 (4-hydroxyphenyl)-2-(N-phenylamino)-1, 3, 4-oxadiazole: crystal structure, DFT, molecular docking, Hirshfeld surface analysis, and in …

MK Gond, A Shukla, SK Pandey, MK Bharty… - Journal of Molecular …, 2022 - Elsevier
The syntheses and screening of novel synthetic molecules have gained attention as a
potential therapeutic agent in the treatment of cancer. In the present study, a new compound …

Synthesis and characterization of Mn (II) complexes of 4-phenyl (phenyl-acetyl)-3-thiosemicarbazide, 4-amino-5-phenyl-1, 2, 4-triazole-3-thiolate, and their application …

MK Bharty, A Bharti, R Chaurasia, UK Chaudhari… - Polyhedron, 2019 - Elsevier
Two new complexes,[Mn (ppt) 2 (o-phen)](1) and [Mn (aptt)(Cl)(o-phen) 2]· 2Haptt· H 2 O (2)
with 4-phenyl (phenyl-acetyl)-3-thiosemicarbazide (Hppt) and 4-amino-5-phenyl-1, 2, 4 …

Vibrational and DFT study of 5-(3-pyridyl-methylidene)-thiazolidine-2-thione-4-one

A Pîrnău, V Chiş, O Oniga, N Leopold, L Szabo… - Vibrational …, 2008 - Elsevier
The molecular vibrations of 5-(3-pyridyl-methylidene)-thiazolidine-2-thione-4-one (5-3-
PMTT) were investigated by FT-IR, FT-Raman and SERS spectroscopies. In parallel …

Determination of low molecular thiols and protein sulfhydryl groups using heterocyclic disulfides

AA Shcherbatykh, MS Chernov'yants, LD Popov - Amino acids, 2022 - Springer
A promising area in the analytical chemistry of thiol-containing compounds is the use of
heterocyclic disulfides as analytical agents, but now only a few of them are widely used. In …

Syntheses and X-ray structural studies of the novel complexes [Ni (en) 2 (3-pyt) 2] and [Cu (en) 2](3-pyt) 2 based on 5-(3-pyridyl)-1, 3, 4-oxadiazole-2-thione

M Singh, RJ Butcher, NK Singh - Polyhedron, 2008 - Elsevier
Two novel mononuclear mixed-ligand complexes [Ni (en) 2 (3-pyt) 2](1) and [Cu (en) 2](3-
pyt) 2 (2), derived from potassium [N′-(pyridine-3-carbonyl)-hydrazinecarbodithioate [K+ …

Synthesis, structural characterization, DFT, fluorescence, and redox behaviour of 4-[5-(2-picolylsulfanyl)-1, 3, 4-oxadiazole-2-yl]-pyridine

S Chandra, MK Gond, S Jaiswal, MK Bharty… - Journal of Molecular …, 2022 - Elsevier
The effective experimental content of this paper reports the synthesis of new 1, 3, 4-
oxadiazole derivative 4-[5-(2-picolylsulfanyl)-1, 3, 4-oxadiazole-2-yl]-pyridine (pop) which …

Theoretical study of the infrared spectrum of 5-phenyl-1, 3, 4-oxadiazole-2-thiol by using DFT calculations

E Romano, NAJ Soria, R Rudyk… - Molecular Simulation, 2012 - Taylor & Francis
We have carried out a structural and vibrational study for 5-phenyl-1, 3, 4-oxadiazole-2-thiol
by using the infrared (IR) spectrum and theoretical calculations. For a complete assignment …

[PDF][PDF] Syntheses, crystal structures and Hirshfeld surface analysis of 2-(benzylsulfanyl)-5-[4-(dimethylamino) phenyl]-1, 3, 4-oxadiazole and 2-[(2-chloro-6 …

RY Okmanov, AA Ziyaev, AS Abdukarimov… - Acta …, 2023 - journals.iucr.org
The title compounds were synthesized by alkylation of 5-[(4-dimethylamino) phenyl]-1, 3, 4-
oxadiazole-2-thiol with benzyl chloride or 2-chloro-6-fluorobenzyl chloride in the presence of …