Molecular Systems Combining Porphyrinoids and N‐Heterocyclic Carbenes

Photophysical Properties of Aromatic and Antiaromatic Porphyrinoids

A molecular mechanical model for N-heterocyclic carbenes.

In this work we present a set of force fields for nine synthetically relevant and/or structurally interesting N-heterocyclic carbenes, including imidazol-, thiazol-, triazol-, imidazolidin-, and pyridine-ylidenes. The bonding parameters were calculated by using a series of geometry optimizations by ab initio methods. For fitting the non-bonding interactions, a water molecule was employed as a p...

Triplet carbenes: From fleeting existence to attractive molecular units*

Attempts to stabilize the triplet state of carbenes to the extent that they can survive under normal conditions were made, in which triplet carbenes having a half-life of 19 min are realized. A way to use the resulting persistent carbene as a unit to construct photosensitive magnetic materials is also discussed.

Combining systems and manuals

User interfaces are getting more and more features, but there are very few systematic ways to make them any better. User interfaces should be empirically evaluated and then improved, but in practice many products are designed and then sold to users, with little opportunity for improvements. It is therefore crucial to have support for usability analysis at design time. This paper is about Hyperd...

Core chemistry and skeletal rearrangements of porphyrinoids and metalloporphyrinoids.

Core alteration, affording heteroporphyrinoids and carbaporphyrinoids, allows for the exploration of porphyrin-like or porphyrin-unlike coordination chemistry. Such a strategy has provided a fundamental change in the approach to macrocyclic organometallic chemistry. The specific reactivity of porphyrinoids has offered an insight into reactions inside particularly shaped macrocyclic architecture...