Platinum(II) and Phosphorus MM3 Force Field Parametrization for Chromophore Absorption Spectra at Room Temperature

2010 ◽  
Vol 114 (14) ◽  
pp. 4981-4987 ◽  
Author(s):  
Jonas Sjöqvist ◽  
Mathieu Linares ◽  
Patrick Norman
Keyword(s):  
Force Field ◽  
Absorption Spectra ◽  
Room Temperature ◽  
Mm3 Force Field ◽  
Force Field Parametrization

Preparation and Properties of La2O3-CaO-P2O5 Glasses Doped with Eu3+ Ions

2016 ◽  
Vol 675-676 ◽  
pp. 376-379 ◽  
Author(s):  
Narun Luewarasirikul ◽  
Piyachat Meejitpaisan ◽  
Jakrapong Kaewkhao
Keyword(s):  
Calcium Phosphate ◽  
Molar Volume ◽  
Absorption Spectra ◽  
Room Temperature ◽  
Emission Spectra ◽  
Phosphate Glasses ◽  
Excitation Wavelength ◽  
Melt Quenching ◽  
Volume Measurements ◽  
Doped Glasses

Lanthanum calcium phosphate glasses doped with Eu3+ ions in compositions 20La2O3:10CaO:(70-x)P2O5:xEu2O3 (where x = 0.05, 0.10, 0.50 and 1.50 mol%) were prepared by melt-quenching technique. The density and molar volume measurements were carried out at room temperature. The absorption spectra were investigated in the UV-Vis-NIR region from 200 to 2500 nm. The emission spectra of Eu3+-doped glasses centered at 590 nm (5D0→7F1), 612 nm (5D0→7F2), 652 nm (5D0→7F3) and 699 nm (5D0→7F4) have been observed with 393 nm excitation wavelength.

OPTICAL ABSORPTION AND ESR SPECTRAL STUDIES ON COPPER-DOPED LEAD-CADMIUM GLASSES

2005 ◽  
Vol 19 (03) ◽  
pp. 119-128 ◽  
Author(s):  
M. PRASAD ◽  
M. CHANDRASEKHAR ◽  
V. CHANDRA MOULI
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Room Temperature ◽  
Spectral Studies ◽  
Optical Absorption Spectra ◽  
Prepared Glass ◽  
Spin Resonance ◽  
Spectral Profiles ◽  
Hamiltonian Parameters ◽  
Ligand Bond

The electron spin resonance and optical absorption spectra of PbO-CdO glasses containing 1 mole% CuO have been investigated at room temperature. The optical absorption spectra of all glass samples have exhibited a broad asymmetric absorption band, which corresponds to a d–d transition of Cu 2+ ions. The prepared glass samples have been analyzed as a function of the photon energy. The results are interpreted based on the optical absorption spectral profiles and also the edge values upon the application of Davis and Mott's theory. From the ESR spectral features, the spin Hamiltonian parameters have been evaluated. The bonding coefficients were obtained, in order to elucidate the information on the Cu 2+ ligand bond nature.

Directional hydrogen bonding in the MM3 force field. I

1994 ◽  
Vol 7 (11) ◽  
pp. 591-609 ◽  
Author(s):  
Jenn-Huel Lii ◽  
Norman L. Allinger
Keyword(s):  
Hydrogen Bonding ◽  
Force Field ◽  
Mm3 Force Field
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