彭 彬, 李前树. 单核和双核过渡金属羰基化合物及双核过渡金属羰基夹心化合物的理论研究[J]. 华南师范大学学报(自然科学版), 2011, (4).
引用本文: 彭 彬, 李前树. 单核和双核过渡金属羰基化合物及双核过渡金属羰基夹心化合物的理论研究[J]. 华南师范大学学报(自然科学版), 2011, (4).
THEORETICAL STUDY ON MONONUCLEAR BINUCLEAR TRANSITION METAL CARBONYLS AND BINUCLEAR SANDWICH-LIKE CYCLOPENTADIENYLMETAL CARBONYLS[J]. Journal of South China Normal University (Natural Science Edition), 2011, (4).
Citation: THEORETICAL STUDY ON MONONUCLEAR BINUCLEAR TRANSITION METAL CARBONYLS AND BINUCLEAR SANDWICH-LIKE CYCLOPENTADIENYLMETAL CARBONYLS[J]. Journal of South China Normal University (Natural Science Edition), 2011, (4).

单核和双核过渡金属羰基化合物及双核过渡金属羰基夹心化合物的理论研究

THEORETICAL STUDY ON MONONUCLEAR BINUCLEAR TRANSITION METAL CARBONYLS AND BINUCLEAR SANDWICH-LIKE CYCLOPENTADIENYLMETAL CARBONYLS

  • 摘要: 摘要:用量子化学理论方法研究了一系列过渡金属羰基化合物及第一长周期双核过渡金属羰基夹心化合物. 根据理论研究结果, 对一些早期有关过渡金属羰基化合物的实验结论提出了质疑, 对一些同族过渡金属元素原子形成的羰基化合物的结构和成键规律进行了探讨;对第一长周期过渡金属双核羰基夹心化合物进行的理论研究表明, 不饱和程度较高的V2(CO)n与其他该类化合物中仅存在金属金属多重键不同, 不仅存在金属金属多重键, 还形成一种特殊的四电子供体羰基.

     

    Abstract: ABSTRACT: A series of transition metal carbonyls and binuclear cyclopentadienylmetal carbonyls were studied theoretically. The studies show that some of the early experimental conclusion about these complexes are suspicious. The bonding rules and the structure character of transition metal carbonyls from same group metals were also studied. For unsaturated first row binuclear cyclopentadienylmetal carbonyls, it seems that structures with metal-metal bonds are preferred over structures with four-electron donor bridging carbonyl groups except for highly unsaturated derivatives of the early transition metal vanadium.

     

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