The Library
Cyclopent[b,c]acenaphthylene: An elusive isomer of pyracylene with the ring currents of an annelated pentalene
Tools
UNSPECIFIED (2004) Cyclopent[b,c]acenaphthylene: An elusive isomer of pyracylene with the ring currents of an annelated pentalene. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 6 (9). pp. 2033-2039. doi:10.1039/b402151g ISSN 1463-9076.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1039/b402151g
Abstract
Ab initio ipsocentric current-density mapping techniques are used to visualise the current density induced by a perpendicular magnetic field in the still unknown cyclopent[b,c]acenaphthylene (1). The pi system divides into distinct, but contiguous, paratropic and diatropic regions, both supporting extended ring currents, the two currents running together along the pentagon-hexagon border. On the usual magnetic definition, cyclopent[b,c]acenaphthylene (1) is therefore part aromatic and part antiaromatic. Orbital analysis attributes the ring-current magnetic response of 1 to its eight most energetic pi electrons. It is concluded that cyclopent[b,c]acenaphthylene (1) constitutes an 'annelated pentedene'. This is supported by the computed H-1 NMR chemical shifts of 1; they are all positioned upfield with respect to naphthalene (3).
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
||||
Journal or Publication Title: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | ||||
Publisher: | ROYAL SOC CHEMISTRY | ||||
ISSN: | 1463-9076 | ||||
Official Date: | 7 May 2004 | ||||
Dates: |
|
||||
Volume: | 6 | ||||
Number: | 9 | ||||
Number of Pages: | 7 | ||||
Page Range: | pp. 2033-2039 | ||||
DOI: | 10.1039/b402151g | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |