On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion

Thesis/Dissertation · Thu Apr 01 04:00:00 EST 1993

DOI:https://doi.org/10.2172/10150935· OSTI ID:10150935

Faust, Rudiger ^[1]

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1. Univ. of California, Berkeley, CA (United States)

When an important compound`s discovery dates back as far as 1825, one would imagine that every facet of its chemical and physical properties has been illuminated in the meantime. Benzene, however, has not ceased to challenge the chemist`s notion of structure and bonding since its first isolation by Michael Faraday. This report is divided into the following six chapters: 1. Aromaticity -- Criteria, manifestations, structural limitations; 2. The role of delocalization in benzene; 3. The thermochemical properties of benzocyclobutadienologs; 4. Ab initio study of benzenes fused to four-membered rings; 5. Non-planar polycyclic aromatic hydrocarbons; and 6. Experimental details and input decks. 210 Refs.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 10150935
• Report Number(s): LBL--35126; ON: DE94011910
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
BENZENE
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
CHEMICAL BONDS
CHEMICAL PROPERTIES
COMPILED DATA
MAGNETIC PROPERTIES
MOLECULAR STRUCTURE
ORGANOMETALLIC COMPOUNDS
PHYSICAL PROPERTIES
THERMODYNAMIC PROPERTIES