We calculate the vibrational frequencies of nickel tetraphenyl porphyrin for 36 vibrational bands by using the U（2） algebraic approach. The algebraic parameters in the calculations are accurate with the experimental...We calculate the vibrational frequencies of nickel tetraphenyl porphyrin for 36 vibrational bands by using the U（2） algebraic approach. The algebraic parameters in the calculations are accurate with the experimental data.展开更多
Molecular spectroscopy is a branch of physics which deals with the interaction of electromagnetic radiation with matter.Using the new theoretical approach,i.e.,Lie algebraic approach,we calculate the infrared spectra ...Molecular spectroscopy is a branch of physics which deals with the interaction of electromagnetic radiation with matter.Using the new theoretical approach,i.e.,Lie algebraic approach,we calculate the infrared spectra of phosphine in the range from 3000 cm^(-1) to 9500 cm^(-1) and nitrogen trifluoride in the range from 900 cm^(-1) to 4500 cm^(-1).The model Hamiltonian constructed seems to describe the P–H and N–F stretching modes accurately with only four numbers of parameters.The present calculation not only predicts the higher overtones but also shows good agreement with the few observed data.展开更多
We introduce an algebraic model to vibrations of polyatomic Bio-molecules and present, as an example, the vibrational analysis of Cm-H, Cm-C, Cm-D, Cb-Cb, pyrrol breathing and Cb-C, stretching modes of Metalloporphyri...We introduce an algebraic model to vibrations of polyatomic Bio-molecules and present, as an example, the vibrational analysis of Cm-H, Cm-C, Cm-D, Cb-Cb, pyrrol breathing and Cb-C, stretching modes of Metalloporphyrins and its substituted forms. The excited energy levels of Cb-C, pyrrol breathing stretching modes of Ni(OEP) and Ni(OEP)-d4 are calculated by using U(2) algebraic mode Hamiltonian. The higher excited energy levels of Cm-H, Cm-C, Cm-D and Cb-Cb vibrational modes of Porphyrin and its substituted forms are predicted upto second overtone. It shows that the energy levels are clustering at the higher overtones. The results obtained by this method are accuracy with experimental data.展开更多
Using Hamiltonian based on Lie algebraic method, the stretching vibrational modes of C3H4 and C3D4 molecules are calculated up to higher overtones. The model appears to describe C-H and C-D stretching modes with less ...Using Hamiltonian based on Lie algebraic method, the stretching vibrational modes of C3H4 and C3D4 molecules are calculated up to higher overtones. The model appears to describe C-H and C-D stretching modes with less number of parameters. The locality parameter ξ confirms the highly local behaviour of the stretching modes of these molecules.展开更多
文摘We calculate the vibrational frequencies of nickel tetraphenyl porphyrin for 36 vibrational bands by using the U（2） algebraic approach. The algebraic parameters in the calculations are accurate with the experimental data.
文摘Molecular spectroscopy is a branch of physics which deals with the interaction of electromagnetic radiation with matter.Using the new theoretical approach,i.e.,Lie algebraic approach,we calculate the infrared spectra of phosphine in the range from 3000 cm^(-1) to 9500 cm^(-1) and nitrogen trifluoride in the range from 900 cm^(-1) to 4500 cm^(-1).The model Hamiltonian constructed seems to describe the P–H and N–F stretching modes accurately with only four numbers of parameters.The present calculation not only predicts the higher overtones but also shows good agreement with the few observed data.
文摘We introduce an algebraic model to vibrations of polyatomic Bio-molecules and present, as an example, the vibrational analysis of Cm-H, Cm-C, Cm-D, Cb-Cb, pyrrol breathing and Cb-C, stretching modes of Metalloporphyrins and its substituted forms. The excited energy levels of Cb-C, pyrrol breathing stretching modes of Ni(OEP) and Ni(OEP)-d4 are calculated by using U(2) algebraic mode Hamiltonian. The higher excited energy levels of Cm-H, Cm-C, Cm-D and Cb-Cb vibrational modes of Porphyrin and its substituted forms are predicted upto second overtone. It shows that the energy levels are clustering at the higher overtones. The results obtained by this method are accuracy with experimental data.
文摘Using Hamiltonian based on Lie algebraic method, the stretching vibrational modes of C3H4 and C3D4 molecules are calculated up to higher overtones. The model appears to describe C-H and C-D stretching modes with less number of parameters. The locality parameter ξ confirms the highly local behaviour of the stretching modes of these molecules.
