4-benzyl pyridinium dihydrogenmonophosphate C6H5CH2C5H4NHH2PO4 : Single-crystal structure and its conductivity in polycrystalline form

The salt 4-benzyl pyridinium dihydrogenmonophosphate is monoclinic P2₁/c with the following unit cell dimensions: ; ; ; and β=97.328(11). Also, , D_x=1.403, , F(000)=560; ; and R=0.0495 and R_w=0.0964 for 3733 independent reflections. The structure consists of infinite parallel two-dimensional planes built of H₂PO₄⁻ anions and C₆H₅CH₂C₅H₄NH⁺ cations mutually connected by strong O-H ?O and N-H ?O hydrogen bonding. There are no contacts other than the normal Van der Waals interactions between the layers. The conductivity relaxation parameters associated with some H⁺ conduction have been determined from an analysis of the spectrum measured in a wide temperature range.     

Single crystal EPR studies of Mn(II) doped zinc sodium sulphate hexahydrate: a case of interstitial substitution

Single crystal Electron Paramagnetic Resonance studies on Mn(II) doped zinc sodium sulphate hexahydrate are carried out at room temperature. The angular variation spectra of the crystal in the three orthogonal planes show that the paramagnetic impurity Mn(II) has entered the host lattice interstitially. The spin Hamiltonian parameters calculated are: g_xx=1.899, g_yy=1.944, g_zz=2.024; and The probable location for the interstitial site has been identified from the position of various atoms in the lattice. The variable temperature study for polycrystalline sample has been carried out, which indicates no phase transition. The percentage covalency of Mn-O bond has been estimated to be 8.5%.     

Near-infrared diode laser spectroscopy of the HCSi radical

The , , and band spectra of HCSi radical were investigated by means of near-infrared diode laser spectroscopy to determine precise molecular constants for the and states. The detailed analysis of the rotationally resolved band spectra, studied for the first time in the present investigation, leads to the precise determination of molecular constants for the state associated with the Renner-Teller interaction. We obtained −0.15126663(53) and 495.00698(30) cm⁻¹ as the Renner-Teller parameter ε and the bending vibrational frequency ω₂, respectively. Based on the molecular constants for the and states, the rotational levels of the state were analyzed to obtain molecular constants and information on upper state perturbations. Using the available spectroscopic data, valence force fields for both the and states were estimated to aid in understanding the vibrational energy levels of the HCSi radical.