WebSep 23, 2024 · Here, we explore computationally the chemical bonding, NMR and spherical aromaticity of Th@C 82 and related thorium-encapsulated metallofullerenes. Our results show that these Th-EMFs are new examples of spherical aromatic structures, representing interesting low-symmetry exceptions to the Hirsch 2( N + 1) 2 rule of spherical aromaticity. WebAromaticity Modern Computational Methods and Applications 1st Edition - May 14, 2024 Write a review Editor: Israel Fernandez eBook ISBN: 9780128227435 Paperback ISBN: 9780128227237 Purchase options Select country/region eBook$220.00 DRM-free (EPub, PDF, Mobi) eBook Format Help Print - Paperback$220.00 Available Add to cart
"14 - Spherical Aromaticity in Inorganic Chemistry" by Maksim ...
WebBenzene, the most widely recognized aromatic compound with six delocalized π electrons (4 n + 2, for n = 1). In organic chemistry, Hückel's rule predicts that a planar ring molecule will have aromatic properties if it has 4 n + 2 π electrons, where n is a non-negative integer. WebFeb 7, 2024 · 3.3 Spherical aromaticity. For spherical molecules like fullerene, electron delocalization space is a sphere, which belongs to SO(3) symmetry group. If we include inversion symmetry, the relevant group become SO(3) \(\otimes \) C \(_i\), which is the O(3) group. The spherical harmonics can be used to represent the irreducible representations … gabby thornton coffee table
Exciting excited-state aromaticity Nature Chemistry
WebThe large highest occupied molecular orbital-to-lowest unoccupied molecular orbital (HOMO–LUMO) gap as well as the superatom and spherical aromatic characters account … WebSpherical aromaticity: recent work on fullerenes, polyhedral boranes, and related structures. Chem Rev. 2005 Oct;105(10):3613-42.doi: 10.1021/cr0300892. Authors. Zhongfang Chen … WebJul 4, 2024 · The two-dimensional (2D) aromaticity concept is widely accepted in all areas of science, and its most representative example is benzene. In 1978, Aihara 1 introduced the concept of 3D aromaticity ... gabby tonal