Andrzej Bogucki

Structure of fullerene C60 in aqueous solution

The structure of fullerene C60 in aqueous solution was investigated both experimentally and theoretically. The fullerene C60 was found to aggregate rapidly at room temperature. The aggregation kinetics results indicated that the structure of C60 aggregates in water could be described as a fractal system. The optical absorption spectra obtained testify to the crystalline character of absorption. The formation in water of fractal structures and a crystalline phase from highly stable hydrated fullerene (C60)13 clusters (Ih symmetry group) was predicted using the molecular dynamics approach.

Vibrational and Electronic Properties of Perylenediimide Linked to Fullerene and Tetrathiafulvalene

Solid-state electronic (UV-Vis) and vibrational (IR) spectra of the tetrathiafulvalene-perylenediimide (PDI-TTF) 1 and perylenediimide-fullerene (PDI-C60) 2 dyads as well as PDI 3 , TTF 8 and fullerene 9 derivatives used as references molecules were investigated in the frequency range between 400 and 45,500 cm−1. Electronic and vibrational features of the dyads were compared and analysed. Molecular geometry of the compounds and their IR and Raman theoretical spectra were calculated. It was stated, that small redistribution of the charges occurs in both moieties of these dyads. This effect is observed as shifts of both electronic and vibrational bands of the dyads in comparison with the respective bands of free components.

Spectral studies of the bis-linked tetrathiafulvalenes to [60]fullerene

Abstract Spectral properties of selected charge-transfer complexes of the fullerene C 60 with planar electron donor molecules as well as polyadducts of tetrathiafulvalenes (TTFs) linked to C 60 by a rigid bridge have been investigated. It was shown that charge distribution on the C 60 sphere and on the TTF-derived donor substituents is distinctly disturbed after the adduct formation. The most interesting feature of selected polyadducts is an appearance of very strong bands in the IR spectra. A resonance coupling between vibrations of appropriate parts of substituents is suggested as a reason of this effect.

Supramolecular Structure and Spectral Properties of Selected Fullerene–Organic Chromophore Systems

The goal of the article is to collect and discuss spectral data for the dyads and reference molecules in the large spectral range, using various methods of investigations. We present information on change of configurations, electronic and vibrational properties of both parts of the dyads after their formation, and their possible relationship with electron transfer mechanism. From the conformational and spectral investigations, a strong correlation between the molecular structure of investigated species and their electronic as well as vibrational spectra arises. It testifies a significant redistribution of the charges upon the covalent linkage of a dyad.

Generation of Low-Dimensional Architectures through the Self-Assembly of Pyromellitic Diimide Derivatives

Small π-conjugated molecules can be designed and synthesized to undergo controlled self-assembly forming low-dimensional architectures, with programmed order at the supramolecular level. Such order is of paramount importance because it defines the property of the obtained material. Here, we have focused our attention to four pyromellitic diimide derivatives exposing different types of side chains. The joint effect of different noncovalent interactions including π–π stacking, H-bonding, and van der Waals forces on the four derivatives yielded different self-assembled architectures. Atomic force microscopy studies, corroborated with infrared and nuclear magnetic resonance spectroscopic measurements, provided complementary multiscale insight into these assemblies.

Supramolecular synthons and pattern recognition in adenine amides - synthesis, structures and thermal properties

An effective method for the synthesis of novel adenine amides was developed and successfully implemented, leading to 4-propyloxy-N-(9H-purin-6-yl)benzamide (1) and 4-dodecyloxy-N-(9H-purin-6-yl)benzamide (2). The compounds were fully characterised by means of spectroscopic (1H NMR, 13C NMR, FT-IR) and thermal (TG, DSC) analysis. The crystallographic analysis revealed that the formation of supramolecular chains relies on hydrogen bonding between amide functionalities. All supramolecular synthons found in the crystal structure of 1 were confirmed with the temperature-dependent IR method. The temperature-dependent IR method is useful in determining supramolecular interactions for compound 2, for which the crystal structure could not be obtained. A detailed analysis of temperature-dependent FT-IR spectra was used for the first time to identify the hydrogen bonds that exist in the solid state of our compounds; it can therefore be considered a promising method for the pattern recognition of hydrogen bonding in supramolecular chemistry.

Recent Achievements in Studies of TCNQ‐based Organic Semiconductors

The aim of the paper is to review the influence of the spatial structure of the cations on selected physical properties of TCNQ complex salts. Some effects such as multidimensionality of HB networks of the salts, melting of organic composites based on TCNQ and photoinduced melting of spin‐Peierls phase are discussed.

Spectral investigations of some bis-linked TTFs to [60]fullerene

Extended spectral investigations of the bis-linked tetrathiafulvalene-derived donors (TTFs) to [60]fullerene were performed. From UV-VIS-NIR-IR spectra it is stated that charge distribution on C 60 moiety and TTFs substituents is disturbed after the adduct formation. In the IR spectra of double-substituted C 60 molecules, a particularly strong resonant effect was observed. The temperature dependence of the spectra has been analyzed.