ELECTRONIC STRUCTURES AND SPECTRA OF CHROMYL AND MOLYBDENYL IONS
ELECTRONIC STRUCTURES AND SPECTRA OF CHROMYL AND MOLYBDENYL IONS
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DOI：
10.1021/ic50002a034
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发表时间：
1962-01-01
影响因子：
4.6
通讯作者：
HARE, CR
中科院分区：
文献类型：
--
作者：
GRAY, HB;HARE, CR
测量了（NH-AlCrOCls]和（NH-AlMoOClk]的反射光谱，并用分子轨道能级图解释了它们的反射光谱.如在V 〇 2+中，假定在含氧阳离子Cr 〇 3+和Mo 〇 3+中金属和氧之间的实质键合。电荷转移跃迁涉及将电子从金属-氧键合轨道激发到主要位于金属原子上的轨道。研究了（NHiMMoOCy）在10 MHz ~（-1）中的溶液光谱，并将计算的谱带强度与观测的谱带强度进行了比较.
The reflectance spectra of (NHdaiCrOCls] and (NH-AiMoOCk] are measured and interpreted in terms of a molecu-lar orbital energy level scheme. As in V02+, substantial-bonding between metal and oxygen in the oxycations Cr03+ and Mo03+ is assumed. The charge transfer transitions involve the excitation of an electron from the metal-oxygen-bonding orbital into orbitals located mainly on the metal atom. The solution spectrum of (NHiMMoOCy in 10 Mhc1 is examined, and a comparison is made between the calculated and observed band intensities.