Carbonyl diisocyanate – a treasure trove for modern heavy main-group molecular chemistry

探索小分子和离子的反应性和性质是扩大我们的知识和发现新的研究和应用领域的关键。在第一个分项目中，我们将重点研究总组成为CCH(NCCH)2(CH=O-Se)的羰基二异氰酸酯。尽管为后续化学提供了大量有趣的可能性，但对羰基二异氰酸酯和二异硫氰酸酯的化学研究很少。此外，它们更重的同系物还不得而知。根据它们不同的反应活性，我们将探索得到的氨基甲酸酯和噻二嗪化学，后者显示出与核苷酸碱基的相似性。他们的配位化学也将被重点关注。重型炸弹将成为第二个子项目的目标。最近观察到1-磷代乙醇酯及其硫同系物发生了基本的氰酸盐向雷硝酸盐的转化，这促使我们也致力于合成砷/硒同系物。将重雷酸盐释放成它们的“自由”准二进制形式，将使我们能够深入地阐明它们的化学。羰基二异氰酸酯的另一个结构基元是羰基键，我们将重点介绍它的重硫族同系物。对于CCH(NCCH)2的合成，需要具有定制反应性的合成子，我们将在这里重点讨论这一点。

Exploring the reactivity and properties of small molecules and ions is key to expanding our knowledge and discovering new areas of research and applications. Within the first sub-project we will focus on carbonyl diisocyanates with the general composition CCh(NCCh)2 (Ch = O – Se). The chemistry of carbonyl diisocyanate and diisothiocyanate is only scarcely explored despite offering a plethora of interesting possibilities for follow up chemistry. Additionally, their heavier congeners are unknown. Based on their differing reactivity we will explore the resulting carbamate and thiadiazine chemistry, the latter showing similarity towards nucleobases. Their coordination chemistry will also be focussed on. Heavy fulminates will be target of the second sub-project. The fundamental cyanate to fulminate transformation has recently been observed for 1-phosphaethynolate and its sulphur congener, prompting us to aim for syntheses of the arsenic/selenium congeners, too. Freeing of the heavy fulminates into their “free” quasibinary forms will then enable us to elucidate their chemistry in depth. Another structural motif in carbonyl diisocyanate is the carbonyl bond and we will focus on its heavy chalcogen congeners. Towards the syntheses of CCh(NCCh)2 there is the need for synthons with bespoke reactivity which we will focus on here.