Synthesis of Gold Complexes From Diphosphine Ligands and Screening Reactions of Heterocyclic Acetylacetonato (ACAC) Ligands with Transitional Metal Complexes Page: 50
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[2.916(4) A] in [Au2Cl2(bpcd)] than in [Au(PEt3)Cl]. The Au.--- Au interaction is [3.615(2) A]
in [Au(PEt3)Cl].
4.2.4 [Au2Cl2(bpcd)] versus [Au2Cl2(bma)] and [PPh3AuCl]
[Au2Cl2(bpcd)] and [Au2Cl2(bma)] are both dinuclear gold (I) complexes. Both
compounds crystallize in monoclinic crystal system with a P 21/n space group. In both
compounds there are four molecules of gold (I) complex per unit cell; therefore, Z=4. In both
cases, the coordination number (CN) of gold (I) is 2, and the oxidation state at gold center is +1.
Furthermore, the two compounds have the semi supported type of Au.-.-.-.-.-.-.Au interaction.
The X-ray structure of the diphosphine gold (I) complex 1or [Au2Cl2(bpcd)] is given in
Figure 4.3. The gold (I) compound is a dinuclear complex which crystallizes in the monoclinic
space group P 21/n. Each atom of gold (I) is linearly connected to a chloride and a BPCD ligand.
The interatomic distance between the two gold atoms Au (1)-..---.. Au (2) is 2.916 A, which is
very close to the known literature values of dinuclear gold (I) complexes (2.935 A).78
The two crystal structures bear some similarities. First, both crystallize in a monoclinic
crystal system. Second, they are both dinuclear of gold (I) complexes with a coordination
number of 2, and the oxidation state at the metal center is +1.
In [Au2Cl2(bpcd)], the P(1)-Au(1)-Cl(1) bond angle is 173.720 compared to 173.880 in
[Au2Cl2(bma)]. Furthermore, the P(2)-Au(2)-Cl(2) bond angle is 172.690 in [Au2Cl2(bpcd)]
compared to 172.760 in [Au2Cl2(bma)]. In both cases, the bond angles are highly similar. Au-Cl,
Au-P, and P-Au-Cl in [Au2Cl2(bpcd)] were also compared with the corresponding bond lengths
and angles found by theoretical calculation from the study of AuClPPh3. Aikens84 and his
coworkers have done theoretical studies using the BP86/TZV program. From their studies, they50
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Nyamwihura, Rogers. Synthesis of Gold Complexes From Diphosphine Ligands and Screening Reactions of Heterocyclic Acetylacetonato (ACAC) Ligands with Transitional Metal Complexes, thesis, August 2015; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc804890/m1/63/: accessed July 16, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .