Structure and Bonding of KrClF: Intermolecular Force Fields in Van Der Waals Molecules
Structure and Bonding of KrClF: Intermolecular Force Fields in Van Der Waals Molecules
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DOI：
10.1139/p75-251
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发表时间：
1975-10
影响因子：
1.2
通讯作者：
S. Novick;S. Harris;K. Janda;W. Klemperer
中科院分区：
文献类型：
--
作者：
S. Novick;S. Harris;K. Janda;W. Klemperer
用分子束电共振谱测量了KrClF的射频和微波谱。主要同位素（~（84）Kr 35 ClF）的分子常数为：原子排列为Kr-Cl-F，具有线性平衡结构，~（84）Kr-~（35）Cl的振动平均距离为3.3884 A。分子结构与本实验室先前研究的ArClF非常相似。振动频率，力常数，估计井深，偶极矩，并在两个分子的距离进行了比较。研究的四个KrClF同位素的分子常数用于推导分子的振动力场，包括非谐和弯曲-拉伸耦合项。简要总结了四个线性货车德瓦尔斯分子光谱研究在这个实验室，沿着一个简单的和结构预测模型的货车德瓦尔斯键。
The radio frequency and microwave spectrum of KrClF has been measured by molecular beam electric resonance spectroscopy. The molecular constants for the major isotope (84Kr35ClF) are:The atomic arrangement is Kr—Cl—F with a linear equilibrium structure and the vibrationally averaged 84Kr—35Cl distance is 3.3884 A. The molecular structure is very similar to that of ArClF, previously studied in this laboratory. Vibrational frequencies, force constants, estimated well depths, dipole moments, and distances in the two molecules are compared. Molecular constants of the four KrClF isotopes studied are used to derive a vibrational force field for the molecule, including anharmonic and bend–stretch coupling terms. A brief summary of the four linear van der Waals molecules studied spectroscopically in this laboratory is presented, along with a simple and structurally predictive model of the van der Waals bond.