Structure of ammonium p-toluenesulfonate

WITHDRAWN: Growth, Structural, Spectral, Quantum Chemical Analysis, first and second order hyperpolarizabilities and molecular Docking Study of Ammonium P- Toluenesulfonate

“…So as to hurl light on the crystal morphology, Krystal Shaper software was employed. The CIF [13] was derived as input to anticipate the morphology of AMPTS. The anticipated morphology of AMPTS display six facets with Freidel pairs as follows, (1 0 0), (-1 0 0), (0 0 1), (0 0 -1), (01 0), (0 -1 0).…”

“…The molecular structure was optimized based on the DFT method, the B3LYP approach and the 6-311G (d,p) basis set. Molecular structure re-determination and UV-visible analysis have been validated using the available experimental data [13,15]. The same thing for the calculated IR and Raman vibrational frequencies.…”

Nonlinear optical and laser damage threshold studies of an ammonium p-toluenesulfonate crystal

“…The calculated cell parameters are a = 20.411 Å , b = 7.066 Å , c = 6.272 Å , volume (V) = 904.6 Å 3 and Z = 4. The grown crystal belongs to orthorhombic crystal system with noncentrosymmetric space group Pna2 1 , and these values are in good agreement with the reported values [8].…”

Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+Core

“…An X-ray crystal structure of 1 was obtained, the ORTEP plot of the cluster anion is shown in Figure , crystallographic data are summarized in Table , and selected bond lengths and angles are summarized in Table . The structure of the {W 6 Cl 8 } 4+ core is similar to previously characterized tungsten clusters. ,,,− The average W−O distance is 2.093 Å and the average W−O−S bond angle is 139.3°, which are typical values for tosylate groups bound to metal centers through one oxygen atom. ,,− The benzene rings are nearly planar and exhibit bond lengths and angles that closely resemble those of the free ion. , The SO bond lengths for the uncoordinated oxygen atoms are similar to the SO bond lengths in the free ion, with an average value of 1.437 Å. The S−O bond for the coordinated oxygen is elongated compared to those of the free ligand, with an average length of 1.500 Å.…”

“…60,61,[67][68][69] The benzene rings are nearly planar and exhibit bond lengths and angles that closely resemble those of the free ion. 70,71 The SdO bond lengths for the uncoordinated oxygen atoms are similar to the SdO bond lengths in the free ion, with an average value of 1.437 Å. The S-O bond for the coordinated oxygen is elongated compared to those of the free ligand, with an average length of 1.500 Å.…”