A comparative study of the coordination of saccharinate, thiosaccharinate and benzisothiozolinate ligands to cyclometalated [Pd(Me2NCH2C6H4-κN,C)(μ-Cl)]2: Molecular structures of [Pd(Me2NCH2C6H4-κN,C)(µ-X)]2 (X = sac, bit and tsac) and [Pd(Me2NCH2C6H4-κN,C)Cl(ampyH-κN)] (ampyH = 2-amino-3-methylpyridine)

Al‐Jibori, Subhi A.; Hameed, Wisam J.; Al‐Janabi, Ahmed S. M.; Basak-Modi, Sucharita; Wagner, Christoph; Hogarth, Graeme

doi:10.1016/j.ica.2018.04.050

Cited by 14 publications

(4 citation statements)

References 54 publications

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“…IR spectra of the complexes ( 7 ) and ( 8 ) showed the ν(CO) of the sac − and bit − ligands at 1648 and 1618 cm −1 , which slightly shifted compared with that of the free saccharinate ligand, indicating that the carbonyl group does not participate in the coordination to metal ions. [ 61,62 ] The υ(C–N) band displayed at 1579 and 1547 cm −1 ; this band was shifted to low frequency region compared with that of the free ligands; this is in agreement with coordination of the sac − and bit − ligands with the metal ions occurred through the nitrogen of heterocyclic ring. [ 62,63 ] The dithiocarbamate showed two diagnostic bands in the IR spectra, at 936 and 959 and 997 and 1013 cm −1 corresponding to ν(C–S) and ν(CS), respectively; the appeared two characteristic bands compared with [M( κ 2 ‐PipDT) 2 ] {M II Zn, Pd} (showed one band) indicated that the dithiocarbamate coordinates as monodentate fashion to the Pd (II) ion through the sulfur atom.…”

Section: Resultssupporting

confidence: 62%

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Al‐Janabi

Kadhim

Al-Nassiry

et al. 2020

Applied Organom Chemis

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Mixed ligand complexes of Zn (II) and Pd (II) have been prepared from piperidine dithiocarbamate (PipDT) and amine ligand {2,2′‐bipyridine (Bipy), 1,10‐phenanthroline (Phen), and 3‐aminopyridine (3Apy)} to afford complexes of the type [M(κ1‐PipDT)(κ2‐Bipy)] {MIIZn, Pd} (1,4), [M(κ1‐PipDT)(κ2‐Phen)] (2,5), and [M(κ1‐PipDT)(κ1‐3Apy)2] (3,6). The reaction of equivalent molar of sodium benzisothiazolinate (Nabit) or sodium saccharinate (Nasac) with cis‐[PdCl2(PPh3)2], followed by addition, sodium piperidine dithiocarbamate (NaPipDT) afforded complexes of the type trans‐[Pd(κ1‐PipDT)(κ1‐N‐bit)(PPh3)2] (7) and trans‐[Pd(κ1‐PipDT)(κ1‐N‐sac)(PPh3)2] (8). The obtained complexes were characterized by elemental analysis and spectroscopic techniques. The PipDT− was bonded as monodentate fashion via sulfur atom, whereas the diamine ligands were coordinated as bidentate chelating, while the 3Apy ligand bonded as monodentate mode through the nitrogen of heterocyclic ring. In complexes (7) and (8), the bit− and sac− ligand coordinated as monodentate through the nitrogen atom of heterocyclic ring. The antimicrobial activity of the complexes was tested. All the complexes showed moderate to good activity compared with standard antimicrobial. Moreover, the calculations of the density functional theory (DFT) were performed to estimate the thermal parameters, dipole moment, polarizability, and molecular electrostatic potential of the present complexes; in addition, Mulliken atomic charges of the complexes, total electron density (TED), electrostatic surface potential (ESP), lethal concentration (LC50), and docking studies as well as the descriptors of chemical reactivity were studied.

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Section: Resultssupporting

confidence: 62%

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Al‐Janabi

Kadhim

Al-Nassiry

et al. 2020

Applied Organom Chemis

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“…On the other hand, the bands shown at 1,583 and 1,523 cm −1 for complexes ( 2) and (3), respectively, are due to υ(C─N) of the coligands Sac and Bit anions, respectively, which are shifted to lower frequencies compared with free ligands. [34,40,41] The IR spectra of complexes ( 4)-( 6) showed a strong band at 784, 838, and 838 cm −1 , which are assigned to υ(C─S) of the tSac − , bztS − , and bzoxS − , respectively; this band is shifted toward lower frequencies than the free ligand, indicating that (C─S) group of tSac − , bztS − , and bzoxS − participates in coordination with the Hg ion through the sulfur atom (as shown in Figures 1-6 in supporting information). [41][42][43]…”

Section: Infrared Spectramentioning

confidence: 99%

Novel dithiocarbamate–Hg(II) complexes containing mixed ligands: Synthesis, spectroscopic characterization, and H₂ storage capacity

Al-Nassiry

Al‐Janabi

Al-Janabi

et al. 2019

J Chinese Chemical Soc

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A tetrahedral Hg(II) diethyl dithiocarbamate (Et 2 Dt) complex containing triphenylphosphine (PPh 3 ) of the composition [HgCl(κ 2 -Et 2 Dt) 2 (PPh 3 )] (1) is prepared. Furthermore, complex (1) is used as a synthone to prepare a novel series of complexes of the following composition [Hg(Et 2 Dt)L(PPh 3 )] {L = saccharinate (2), thiosaccharinate (3), benzisothiazolinate (4), benzothiozole-2-thiolate (5), and benzooxazole-2-thiolate (6) anions}. The resulted complexes(1)-(6) are characterized by elemental analysis, molar conductivity, powder X-ray diffraction, fourier transform Infrared, and NMR ( 1 H and 31 P) spectroscopic techniques. The Et 2 Dt ligand is coordinated as bidentate chelate through the sulfur atoms, whereas the L ligands are bonded as monodentate ligands to afford a tetrahedral geometry around the Hg(II) ion. Nitrogen adsorptiondesorption isotherm for two of as-prepared complexes (2) and (3) are measured first to get their Brunauer-Emmett-Teller surface area. Moreover, the mentioned two complexes are evaluated for their ability to store hydrogen gas at 77 K. However, the results of the hydrogen storage tests proved that the selected complexes are all capable of storing hydrogen, but in varying degrees, where complex (2) exhibited a storage capacity of 4.22 wt% under 88 bar. K E Y W O R D Sbidentate chelate, complexes, diethyl dithiocarbamate, Hg(II), hydrogen storage

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“…Benzisothiazolinone can be deprotonated through its N-H amide group by a sodium hydroxide base. Al-Jibori's group has reported several N-bonded metal complexes derived from (Hbit) ligand [22][23][24][25]. Due to the weakly acidic nature of the amide proton, amide-derived dithiocarbamate ligands have not been extensively studied.…”

Section: Introductionmentioning

confidence: 99%

Pd(II), Pt(II), Zn(II), Cd(II) and Hg(II) complexes of the newly prepared 1,2-benzo- isothiazol-3(2H)-dithiocarbamate (BIT-DTC) ligand

F. Alshdoukhi,

S.M.O. Al-barwari,

Mohammed Aziz

et al. 2024

Bull. Chem. Soc. Eth.

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In the current work, we report the synthesis and characterization of new dithiocarbamate complexes derived from 1,2-benzoisothiazol-3(2H)-one (BitH). The ligand was synthesized by treating the BitH with carbon disulfide in a basic solution. The NMR technique confirmed the preparation of the ligand. The treatment of the Bit-dtcNa with the metal salt’s solution afforded the complexes of the type [M(Bit-dtc)2]; M = Zn, Cd, Hg, Pd, and Pt. The complexes were characterized via FT-IR and 1H-NMR techniques. The Zn, Pd, and Pt complexes were investigated theoretically, and some of their quantum properties were determined. These parameters include HOMO-LUMO energies, electron affinity, ionization potential, chemical hardness, dipole moment and the total energies of the optimized structures. Moreover, the surface structure of Zn and Hg complexes were investigated by SEM and XRD techniques. The SEM pattern showed a cubic structures for the Zn complex while the Hg complex appeared as a nano rods structure. The calculated average particle sizes for Zn and Hg complexes were 23 and 26 nm, respectively. KEY WORDS: Dithiocarbamate, 1,2-Benzoisothiazol-3(2H)-one, DFT, SEM, XRD Bull. Chem. Soc. Ethiop. 2024, 38(3), 889-899. DOI: https://dx.doi.org/10.4314/bcse.v38i4.6

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Cited by 14 publications

References 54 publications

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Novel dithiocarbamate–Hg(II) complexes containing mixed ligands: Synthesis, spectroscopic characterization, and H₂ storage capacity

Pd(II), Pt(II), Zn(II), Cd(II) and Hg(II) complexes of the newly prepared 1,2-benzo- isothiazol-3(2H)-dithiocarbamate (BIT-DTC) ligand

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Cited by 14 publications

References 54 publications

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

Novel dithiocarbamate–Hg(II) complexes containing mixed ligands: Synthesis, spectroscopic characterization, and H2 storage capacity

Pd(II), Pt(II), Zn(II), Cd(II) and Hg(II) complexes of the newly prepared 1,2-benzo- isothiazol-3(2H)-dithiocarbamate (BIT-DTC) ligand

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Novel dithiocarbamate–Hg(II) complexes containing mixed ligands: Synthesis, spectroscopic characterization, and H₂ storage capacity