THEORETICAL CHARACTERIZATION OF PHTHALOCYANINE, TETRAAZAPORPHYRIN, TETRABENZOPORPHYRIN, AND PORPHYRIN ELECTRONIC SPECTRA
THEORETICAL CHARACTERIZATION OF PHTHALOCYANINE, TETRAAZAPORPHYRIN, TETRABENZOPORPHYRIN, AND PORPHYRIN ELECTRONIC SPECTRA
复制标题
酞菁、四氮杂卟啉、四苯并卟啉和卟啉电子光谱的理论表征
DOI：
10.1002/chin.198301044
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发表时间：
1982
期刊：
影响因子：
--
通讯作者：
P. Lebreton
中科院分区：
文献类型：
--
作者：
L. Lee;N. Sabelli;P. Lebreton
前言卟啉（P_23456 ~-）、酞菁（PC ~（2-））及其二价阴离子四氮杂卟啉（TAP ~（2-））和四苯并卟啉（TBP_2-）的金属配合物由于其生物学意义和催化性能而被广泛研究。1这些二价阴离子的结构如图1所示。许多早期的研究涉及测量和解释二价阴离子的金属络合物的吸收光谱，目前对这些研究进行了广泛的综述。2，3对这四种二价阴离子的金属配合物的吸收光谱的一个肤浅的检查指出了几个有趣的相似之处，这些相似之处与主要由大环二价阴离子引起的单线态x-* x* 跃迁有关。一般来说，这些光谱在14000和20000 cm-1之间的能量区域中表现出振子强度小于0.5的吸收带。这种弱吸收之后是一个较强的带，通常发生在25 000和31000 cm-1之间。第一个带称为Q带，第二个带称为B或Soret带。PC 2-、P2-、TAP 2-和TBP 2-的金属配合物也在比Soret带更高的能量下显示出几个弱x-* x* 带。在这些弱带中，能量最低的带通常出现在30000 ~ 35000 cm ~（-1）之间，称为N带。的
Introduction Because of their biological significance and their cata-lytic properties, the electronic structureof metal complexes of porphyrin (P2 3456 “), phthalocyanine (PC2-), andthe related dianions tetraazaporphyrin (TAP2-) and tetrabenzo-porphyrin (TBP2-) have been extensively studied. 1 The structures of these dianions are shown in Figure 1. Many early studies have involved measuring and interpreting the absorption spectra of metal complexes of the dianions, and extensive reviews of such studies are currently available. 2, 3 A superficial examination of the absorption spectra of metal complexes involving these four dianions points out several interesting similarities which are associated with singlet x—* x* transitions arising primarily fromthe macrocyclic dianion. 2, 4-7 In general, these spectra exhibit an absorption band with an oscillator strength less than 0.5 in the energy region between 14000 and 20000 cm-1. This weak absorption is followed by a stronger band usu-ally occurring between 25 000 and 31000 cm-1. The first band is called the Q band; the second band is called the B or Soret band.Metal complexes of PC2-, P2-, TAP2-, and TBP2-also exhibit several weak x-* x* bands at higher energies than that of the Soret band. Of these weak bands, the one with the lowest energy commonly appearing in the region be-tween 30000 and 35000 cm-1 is called the N band. The