Department of Chemistry, University of Houston, 136 Fleming Building, Houston Texas 77204-5003, USA.
Inorg Chem. 2012 May 21;51(10):5822-30. doi: 10.1021/ic300348b. Epub 2012 May 3.
Single crystal polarized Raman and infrared spectra of the series Na(5)[MO(2)][X] with M = Co(I), Ni(I), and Cu(I) and X = S(2-) and CO(3)(2-), are reported. All phonon modes are assigned to the lattice eigenmodes based on the group theory analysis and first principles lattice dynamics calculations. The energies of the fundamental symmetric and asymmetric vibrations of the MO(2) complex are discussed on the basis of their electronic structure and variation in M-O interatomic distances. Electronic Raman scattering and luminescence are observed for the magnetic members of the series (Co(I), d(8), and Ni(I), d(9)). Ligand field theory is employed to account for the electronic effects which originate from states split by spin-orbit coupling.
报告了系列 Na(5)[MO(2)][X]（其中 M = Co(I)、Ni(I) 和 Cu(I)，X = S(2-) 和 CO(3)(2-)）的单晶极化拉曼和红外光谱。所有声子模式都根据群论分析和第一性原理晶格动力学计算分配给晶格本征模式。根据 MO(2) 络合物的电子结构和 M-O 原子间距离的变化，讨论了其基本对称和不对称振动的能量。该系列的磁性成员（Co(I)，d(8)和 Ni(I)，d(9)）观察到了电子拉曼散射和发光。采用配位场理论来解释由自旋轨道耦合分裂的状态引起的电子效应。
