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

Abstract

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.

Authors:
 [1]
  1. Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
10150935
Report Number(s):
LBL-35126
ON: DE94011910
DOE Contract Number:  
AC03-76SF00098
Resource Type:
Thesis/Dissertation
Resource Relation:
Related Information: Thesis (Ph.D.)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BENZENE; CHEMICAL PROPERTIES; PHYSICAL PROPERTIES; MAGNETIC PROPERTIES; CHEMICAL BONDS; MOLECULAR STRUCTURE; THERMODYNAMIC PROPERTIES; ORGANOMETALLIC COMPOUNDS; COMPILED DATA; 400201; CHEMICAL AND PHYSICOCHEMICAL PROPERTIES

Citation Formats

Faust, Rudiger. On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion. United States: N. p., 1993. Web. doi:10.2172/10150935.
Faust, Rudiger. On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion. United States. https://doi.org/10.2172/10150935
Faust, Rudiger. 1993. "On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion". United States. https://doi.org/10.2172/10150935. https://www.osti.gov/servlets/purl/10150935.
@article{osti_10150935,
title = {On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion},
author = {Faust, Rudiger},
abstractNote = {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.},
doi = {10.2172/10150935},
url = {https://www.osti.gov/biblio/10150935}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 01 00:00:00 EST 1993},
month = {Thu Apr 01 00:00:00 EST 1993}
}

Thesis/Dissertation:
Other availability
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