Synthesis and Properties of Alkylene (Dialkyl) Dithiophosphate Derivatives of Thionyl Chloride

Harkut, Neelam; Keshawat, A.; Nagar, Pankaj

doi:10.1080/10426500600614725

Cited by 4 publications

(1 citation statement)

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“…The wide geometric variation of transition 12–14 and non‐transition metal complexes 15–18 with dialkyl and alkylene dithiophosphates is a consequence of the alternative geometries associated with bidentate bridging, bidentate terminal, and mono dentate ligation of these ligands to the metals. They are generally synthesized by reacting dialkyl and diaryl phosphoryl chloride with ammonium salts of alkylene dithiophosphate in 1:1 molar ratio in refluxing benzene 19–21 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis, identification, density functional and Hirshfeld surface studies of 2,2′‐disulfanediylbis(tetrahydro‐4H‐cyclopenta[d][1,3,2]dioxaphosphole‐2‐sulfide)

et al. 2021

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The new compound 2,2′‐disulfanediylbis (tetrahydro‐4H‐cyclo penta[d][1,3,2]dioxaphosphole 2‐sulfide), the dimeric form of 2‐mercaptotetrahydro‐4H‐cyclopenta[d] [1,3,2] dioxaphosphole 2‐sulfide, has been synthesized and characterized by elemental analysis, molecular weight determination and spectral data (1H‐NMR, 13C‐NMR, 31P‐NMR, FTIR). The molecular geometry was confirmed by single X‐Ray crystallography. The ground state property was examined by PBE0 and B3LYP density functionals using aug‐cc‐pV(Q+d)Z basis set in the gas phase and in DMSO solution. The preference of PBE0 functional was statistically established. Thermodynamic parameters and standard heat of dissociation reaction (ΔHnormalR()2980.12emnormalKo) have been established. The calculated equilibrium constants at different temperatures reflect the stability of the dimer over the monomers at low temperatures and vice versa. Valency and Fukui indices calculations showed that the monomer is more reactive than the dimer. 2D‐fingerprint revealed that, while the H…X; [X = H, O and S] nonbonding intermolecular interactions and reciprocals play a crucial role in strengthening of molecules packing in the crystal unit cell while the S…S ones contribute negatively on it.

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Section: Introductionmentioning

confidence: 99%