| Literature DB >> 16839038 |
Zhen-Hua Li1, Damian Moran, Kang-Nian Fan, Paul von Ragué Schleyer.
Abstract
The magnetic properties of a series of inorganic saturated rings, (SiH2)n, (GeH2)n, (NH)n, (PH)n, (AsH)n, On, Sn, and Sen (n = 3-6), exhibit zigzag behavior with ring size resembling that of aromatic and antiaromatic Hückel pi-systems and (CH2)n rings. Computed GIAO-SCF nucleus-independent chemical shifts (NICS) and localized (LMO) NICS analysis indicate that the sigma-ring electrons are chiefly responsible for this zigzag behavior. This evidence for sigma-aromaticity is further supported by theoretical strain energy (TSE). The Hückel 4n + 2/4n aromaticity/antiaromaticity rule for pi-electron systems applies well to the smaller saturated rings.Year: 2005 PMID: 16839038 DOI: 10.1021/jp048541o
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781