Search results for: r-square

2 Theoretical Studies on the Formation Constant, Geometry, Vibrational Frequencies and Electronic Properties Dinuclear Molybdenum Complexes

Authors: Mahboobeh Mohadeszadeh, Behzad Padidaran Moghaddam

Abstract:

In order to measuring dinuclear molybdenum complexes formation constant First,the reactants and the products were optimized separately and then, their frequencies were measured. In next level , with using Hartree-fock (HF) and density functional theory (DFT) methods ,Theoretical studies on the geometrical parameters, electronic properties and vibrational frequencies of dinuclear molybdenum complexes [C40H44Mo2N2O20] were investigated . These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical method using the LANL2DZ (for Mo’s) + 6-311G (for others) basis sets. To estimate the error rate between theoretical data and experimental data, RSquare , SError and RMS values that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbital’s attendance in making molecular orbital’s, atoms electrical charge, the sustainable energy resulting and also HOMO and LUMO orbital’s energy achieved.

Keywords: geometrical parameters, hydrogen bonding, electronic properties, vibrational frequencies

Procedia PDF Downloads 275

1 Design and Characterization of CMOS Readout Circuit for ISFET and ISE Based Sensors

Authors: Yuzman Yusoff, Siti Noor Harun, Noor Shelida Salleh, Tan Kong Yew

Abstract:

This paper presents the design and characterization of analog readout interface circuits for ion sensitive field effect transistor (ISFET) and ion selective electrode (ISE) based sensor. These interface circuits are implemented using MIMOS’s 0.35um CMOS technology and experimentally characterized under 24-leads QFN package. The characterization evaluates the circuit’s functionality, output sensitivity and output linearity. Commercial sensors for both ISFET and ISE are employed together with glass reference electrode during testing. The test result shows that the designed interface circuits manage to readout signals produced by both sensors with measured sensitivity of ISFET and ISE sensor are 54mV/pH and 62mV/decade, respectively. The characterized output linearity for both circuits achieves above 0.999 rsquare. The readout also has demonstrated reliable operation by passing all qualifications in reliability test plan.

Keywords: readout interface circuit (ROIC), analog interface circuit, ion sensitive field effect transistor (ISFET), ion selective electrode (ISE), ion sensor electronics

Procedia PDF Downloads 314