𝔖 Bobbio Scriptorium
✦   LIBER   ✦

ChemInform Abstract: Theoretical Study of the Electronic Spectra of the Biphenyl Cation and Anion.

✍ Scribed by M. RUBIO; M. MERCHAN; E. ORTI; B. O. ROOS

Book ID
112027180
Publisher
John Wiley and Sons
Year
2010
Weight
23 KB
Volume
27
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Electronic spectra and a theoretical stu
Electronic spectra and a theoretical study of the quinolizinium cation and the bromoquinolizinium cations
✍ Cyril PΓ‘rkΓ‘nyi; Georgine M. Sanders; Marinus van Dijk; Prof. Dr. E. Havinga πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 534 KB

## Abstract The PPP (__Pariser‐Parr‐Pople__) method has been used to study the quinolizinium ion (**1**) and the four isomeric bromoquinolizinium ions (**2–5**). The results have been used to interpret their electronic absorption and emission (fluorescence, phosphorescence) spectra. Also, predictio

A theoretical study of the electronic sp
A theoretical study of the electronic spectrum of biphenyl
✍ Mercedes Rubio; Manuela MerchΓ‘n; Enrique OrtΓ­; BjΓΆrn O. Roos πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 753 KB

The electronic spectrum of biphenyl in the energy range up to 6.0 eV has been studied using multiconfigurational secondorder perturbation theory (CASPT2) and a basis set of ANO type, including polarization functions on all carbon atoms. The calculated spectrum gives conclusive assignments to all val