## Abstract The adsorption of CO in metal–organic framework CuBTC material is investigated by a combination of theoretical and experimental approaches. The adsorption enthalpy of CO on CuBTC determined experimentally to be −29 kJ mol^−1^ at the zero‐coverage limit is in very good agreement with the
Experimental and theoretical investigation on the site symmetry of phosphorus in ZnSe
✍ Scribed by N. Sankar; K. Ramachandran
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 310 KB
- Volume
- 348
- Category
- Article
- ISSN
- 0921-4526
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✦ Synopsis
Raman spectroscopic studies on phosphorus doped zinc selenide have been reported by Nakano et al. (J Crystal Growth 117 (1992) 331) and vibrational modes have been observed at 220 and 375 cm À1 . While the 375 cm À1 band can be assigned to the localized vibrational mode of T 2 symmetry, the origin of 220 cm À1 band could not be established. Further, the earlier molecular model calculations and Greens function formalisms could not establish the local symmetry around the P site. With a view to analyze the nature and symmetry of the Raman band at 220 cm À1 , detailed experimental and lattice dynamical computations are carried out. Crystals of ZnSe, ZnSe:P, ZnSe:P,Ga are grown by physical vapor transportation method. Raman spectra excited by an argon ion laser, in the backscattering geometry, are supplemented by the IR spectral measurements in the range 150-400 cm À1 . The experimental results are discussed in relation to the lattice dynamical computations for various proposed configuration of effects, and the observed spectral features are correlated with the theoretical predictions.
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