BROWSE

Related Researcher

Author's Photo

Kwon, Oh Hoon
Ultrafast Laser Spectroscopy and Nano-microscopy (ULSaN Lab)
Research Interests
  • Femtochemistry/biology, 4D electron microscopy, structural dynamics, materials phenomena

ITEM VIEW & DOWNLOAD

Ab initio study of the electronic spectrum of 7-hydroxyquinoline

Cited 1 times inthomson ciCited 1 times inthomson ci
Title
Ab initio study of the electronic spectrum of 7-hydroxyquinoline
Author
Franz, JPeyerimhoff, SDHanrath, MKwon, Oh HoonJang, DJ
Issue Date
2005-03
Publisher
CHEMICAL SOC JAPAN
Citation
CHEMISTRY LETTERS, v.34, no.3, pp.330 - 331
Abstract
The electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π-π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π-π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47, and 6.08 eV. Excitations out of the highest occupied σ orbital into the lowest unoccupied π* orbitals are computed to occur at 5.28 and 6.44 eV. The π-σ* transition is predicted at 5.87 eV. The σ* orbital involved is identified as the Rydberg 3s orbital having antibonding character along the OH bond.
URI
https://scholarworks.unist.ac.kr/handle/201301/8786
URL
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=19544364910
DOI
10.1246/cl.2005.330
ISSN
0366-7022
Appears in Collections:
CHM_Journal Papers
Files in This Item:
There are no files associated with this item.

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qrcode

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU