Structural and spectroscopic parameters of distortion in [Cu(bpy)2(O2SO2)]·CH3OH and [Cu(bpy)3][SO4]·7.5H2O – Synthesis, crystal structure, spectroscopic and magnetic properties

Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies

“…In this ring, a disordered water molecule fills the space between H2m4na + and SnCl 6 2– ions and creates a weak hydrogen bond with the hexachloridostannate anion. Due to disorder around the two-fold axis, two hydrogen bonds form pseudoring patterns of hydrogen bonds R 2 2 (8), which is similar to that previously found in [Cu(bpy) 2 (O 2 SO 2 )]·CH 3 OH [Figure (panels c and d)] …”

Spectroscopic, DFT and antimicrobial activity of Zn(II), Zr(IV), Ce(IV) and U(VI) complexes of N,N‐ chelated 4,6‐bis (4‐chlorophenyl)‐2‐amino‐1,2‐dihydropyridine‐3‐carbinitrile

“…The energy of the complex is −423.050au while the dipole moment is 7.432D (slightly weak) also, the charge accumulated on N2 and N9 of the first molecule are −0.228 and − 0.281 while for N48 and N50 of the second molecule are −0.273 and − 0.231. The bond angle of O72SO73 of sulfate group is 133.53° …”

Synthesis, characterization and X-ray structural studies of three hybrid inorganic–organic compounds: Silver(I)-, lead(II)- and tris(phenanthroline)copper(II)- 2,6-naphthalenedisulfonate (2,6-nds)

“…In comparison with spectrum of pure Na 2 (2,6-nds), these bands are slightly red-shifted, ca.300 cm -1 , upon the complexation process. Whereas, the spectrum of compound 3 can be divided into two spectral ranges: 7000- four transitions are expected in accordance with the sequence: [34][35][36]. Thus, the broad band with maximum at 13400 cm -1 is generated by combination of 2 A 1g  2 B 2g and 2 A 1g  2 B 3g transitions.…”

“…First region is correlated with d-d transitions (d 9 ) In compound 3, similar to the [Cu(phen) 3 ] 2+ and [Cu(bpy) 3 ] 2+ cations (bpy=2,2'-bipyridine)[34,35], the octahedral geometry is elongated (Cu1N2 = 2.229(4)Å, Cu1N5 = 2.240(4) Å). The distortion of such cations is described by tetragonality parameter T (T = d eq /d ax , d eq = average of four equatorial bond distances, d ax = average of two axial bond distances).…”