Boron–nitrogen heteroarenes hold great promise for practical application in many areas of
chemistry. Enduring interest in realizing this potential has in turn driven perennial innovation …

Following the history of organic chemistry, studies on relations between chemical (and later
physicochemical) properties and the structure of chemical species in question are the heart …

We design theoretically small molecule candidates for singlet fission chromophores, aiming
to achieve a balance between sufficient diradical character and kinetic persistence. We …

Recent years have witnessed rapid advances in the field of BN/CC isosterism, particularly in
the case of azaborinines. Examples of each isomer have now been synthesized and …

Heterocycles containing both N and B heteroatoms in their structure were first reported by
Dewar in the middle of the last century. However, they received little attention until the early …

The Nucleus Independent Chemical Shift (NICS) method1 was introduced by Paul v. R.
Schleyer in 1996 as a computational tool for the evaluation of aromaticity, exemplified for …

The influence of the relative boron and nitrogen positions on aromaticity of the three
isomeric 1, 2‐, 1, 3‐, and 1, 4‐azaborines has been investigated by computing the extra …

The first synthesis of a tetracene BN isostere is reported. Comparison with its direct, all-
carbon analogue reveals that the BN tetracene isostere exhibits a lower-lying HOMO and a …

We describe the synthesis and the physical properties of polyaromatic hydrocarbons (PAHs)
containing a phosphorus atom at the edge. In particular, the impact of the successive …

The present computational work analyzes singlet fission (SF) as a pathway for multiplication
of photogenerated excitons in crystalline polyacenes. Our study explores the well-known …