Stereoisograms of octahedral complexes are classified into five types (type I--typeV) under the action of the corresponding RS-stereoisomeric group. Their enumeration is accomplished in a type-itemized fashion, where Fujita's proligand method developed originally for combinatorial enumeration under point groups (S. Fujita, Theor. Chem. Acc., 113, 73--79 (2005)) is extended to meet the requirement of Fujita's stereoisogram approach. The cycle index with chirality fittingness (CI-CF) of the point group O_h is modulated by taking account of the CI-CF for calculating type-V quadruplets contained in stereoisograms. The modulated CI-CF is combined with a CI-CF of the maximum chiral point group (O), a CI-CF of the maximum RS-permutation group, a CI-CF of the maximum ligand-reflection group, and a CI-CF of the RS-stereoisomeric group, so as to generate CI-CFs for evaluating type-I to type-V quadruplets. By introducing ligand-inventory functions into the CI-CFs, the numbers of quadruplets ofoctahedral complexes are obtained and shown in tabular forms. Several stereoisograms for typical complexes are depicted. Their configuration indices and C/A-descriptors are discussed on the basis of Fujita's stereoisogram approach.
Fujita, S. (2016). Type-Itemized Enumeration of RS-Stereoisomers of Octahedral Complexes. Iranian Journal of Mathematical Chemistry, 7(2), 113-153. doi: 10.22052/ijmc.2016.13379
MLA
S. Fujita. "Type-Itemized Enumeration of RS-Stereoisomers of Octahedral Complexes", Iranian Journal of Mathematical Chemistry, 7, 2, 2016, 113-153. doi: 10.22052/ijmc.2016.13379
HARVARD
Fujita, S. (2016). 'Type-Itemized Enumeration of RS-Stereoisomers of Octahedral Complexes', Iranian Journal of Mathematical Chemistry, 7(2), pp. 113-153. doi: 10.22052/ijmc.2016.13379
VANCOUVER
Fujita, S. Type-Itemized Enumeration of RS-Stereoisomers of Octahedral Complexes. Iranian Journal of Mathematical Chemistry, 2016; 7(2): 113-153. doi: 10.22052/ijmc.2016.13379
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