| Autor: |
Yang Y; Department of Chemistry, Case Western Reserve University, Cleveland, Ohio 44106, United States. yxy130@case.edu, Samas B, Kennedy VO, Macikenas D, Chaloux BL, Miller JA, Speer RL Jr, Protasiewicz J, Pinkerton AA, Kenney ME |
| Jazyk: |
angličtina |
| Zdroj: |
The journal of physical chemistry. A [J Phys Chem A] 2011 Nov 17; Vol. 115 (45), pp. 12474-85. Date of Electronic Publication: 2011 Aug 01. |
| DOI: |
10.1021/jp2019445 |
| Abstrakt: |
Single crystal structures have been determined for the three cofacial, oxygen-bridged, silicon phthalocyanine oligomers, [((CH(3))(3)SiO)(2)(CH(3))SiO](SiPcO)(2-4)[Si(CH(3))(OSi(CH(3))(3))(2)], and for the corresponding monomer. The data for the oligomers give structural parameters for a matching set of three cofacial, oxygen-bridged silicon phthalocyanine oligomers for the first time. The staggering angles between the six adjacent cofacial ring pairs in the three oligomers are not in a random distribution nor in a cluster at the intuitively expected angle of 45° but rather are in two clusters, one at an angle of 15° and the other at an angle of 41°. These two clusters lead to the conclusion that long, directional interactions (LDI) exist between the adjacent ring pairs. An understanding of these interactions is provided by atoms-in-molecules (AIM) and reduced-density-gradient (RDG) studies. A survey of the staggering angles in other single-atom-bridged, cofacial phthalocyanine oligomers provides further evidence for the existence of LDI between cofacial phthalocyanine ring pairs in single-atom-bridged phthalocyanine oligomers. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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