Stereoelectronic properties of photosynthetic and related systems. 10. Quantum mechanical characterization of the excited states of ethyl chlorophyllide. cap alpha. enol

Journal Article · Wed Jul 29 00:00:00 EDT 1981 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00405a074· OSTI ID:6166149

Petke, J D; Shipman, L L; Maggiora, G M; Christoffersen, R E

This paper deals with the interpretation of the electronic absorption spectra of chlorophyll a enols. Ab initio configuration interaction calculations were performed on ethyl chlorophyllide a enol (EtChl a enol). The electronic states of EtChl a enol are much more polar than those of EtChla. Unlike EtCla, there is no low-lying triplet state in EtCl a enol within 2000 cm/sup -1/ of S/sub 1/, suggesting that intersystem crossing may be more difficult in EtCl a enol than in EtChl a. (DLC)

• Research Organization: Univ. of Kansas, Lawrence
• OSTI ID: 6166149
• Journal Information: J. Am. Chem. Soc.; (United States), Vol. 103:15
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CHLOROPHYLL
ELECTRONIC STRUCTURE
ENOLS
ABSORPTION SPECTRA
ISOMERS
TRIPLETS
ALCOHOLS
CARBOXYLIC ACIDS
HETEROCYCLIC ACIDS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
MULTIPLETS
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYTOCHROMES
PIGMENTS
PORPHYRINS
SPECTRA
400301* - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)