ELECTRIC MOMENT AND MOLECULAR STRUCTURE. III. DOUBLE AND TRIPLE BONDS AND POLARITY IN AROMATIC HYDROCARBONS

1931 ◽  
Vol 53 (4) ◽  
pp. 1296-1304 ◽  
Author(s):  
C. P. Smyth ◽  
R. W. Dornte
Keyword(s):  
Molecular Structure ◽  
Aromatic Hydrocarbons ◽  
Electric Moment ◽  
Triple Bonds

ELECTRIC MOMENT AND MOLECULAR STRUCTURE. IX. THE OXYGEN AND SULFUR VALENCE ANGLES

1932 ◽  
Vol 54 (8) ◽  
pp. 3230-3240 ◽  
Author(s):  
C. P. Smyth ◽  
W. S. Walls
Keyword(s):  
Molecular Structure ◽  
Electric Moment

scholarly journals Impact of molecular structure on secondary organic aerosol formation from aromatic hydrocarbon photooxidation under low NO<sub><i>x</i></sub> conditions

2016 ◽  
Author(s):  
L. Li ◽  
P. Tang ◽  
S. Nakao ◽  
D. R. Cocker III
Keyword(s):  
Molecular Structure ◽  
Chemical Composition ◽  
Aromatic Hydrocarbon ◽  
Chain Length ◽  
Aromatic Hydrocarbons ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Ortho Position ◽  
Aerosol Formation ◽  
The Impact

Abstract. The molecular structure of volatile organic compounds (VOC) determines their oxidation pathway, directly impacting secondary organic aerosol (SOA) formation. This study comprehensively investigates the impact of molecular structure on SOA formation from the photooxidation of twelve different eight to nine carbon aromatic hydrocarbons under low NOx conditions. The effects of the alkyl substitute number, location, carbon chain length and branching structure on the photooxidation of aromatic hydrocarbons are demonstrated by analyzing SOA yield, chemical composition and physical properties. Aromatic hydrocarbons, categorized into five groups, show a yield order of ortho (o-xylene and o-ethyltoluene) > one substitute (ethylbenzene, propylbenzene and isopropylbenzene) > meta (m-xylene and m-ethyltoluene) > three substitute (trimethylbenzenes) > para (p-xylene and p-ethyltoluene). SOA yields of aromatic hydrocarbon photooxidation do not monotonically decrease when increasing alkyl substitute number. The ortho position promotes SOA formation while the para position suppresses aromatic oxidation and SOA formation. Observed SOA chemical composition and volatility confirm that higher yield is associated with further oxidation. SOA chemical composition also suggests that aromatic oxidation increases with increasing alkyl substitute chain length and branching structure. Further, carbon dilution theory developed by Li et al. (2015a) is extended in this study to serve as a standard method to determine the extent of oxidation of an alkyl substituted aromatic hydrocarbon.

ELECTRIC MOMENT AND MOLECULAR STRUCTURE. II. TERTIARY BUTYL AND TRIPHENYLMETHYL CHLORIDES AND ALCOHOLS

1931 ◽  
Vol 53 (2) ◽  
pp. 545-555 ◽  
Author(s):  
C. P. Smyth ◽  
R. W. Dornte
Keyword(s):  
Molecular Structure ◽  
Electric Moment ◽  
Tertiary Butyl

Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core

2020 ◽  
Author(s):  
Edgar Gonzalez-Rodriguez ◽  
Miguel A. Abdo ◽  
Gabriel dos Passos Gomes ◽  
Suliman Ayad ◽  
Frankie D. White ◽  
...  
Keyword(s):  
Aromatic Hydrocarbons ◽  
Cross Coupling ◽  
Complex Chemical ◽  
Triple Bonds ◽  
Direct Cross ◽  
Polycyclic Aromatic ◽  
Radical Cascade ◽  
Photophysical Studies ◽  
High Fluorescence ◽  
Radical Attack

A versatile synthetic route to distannyl-substituted polyarenes was developed via double radical periannulations. The cyclization precursors were equipped with propargylic OMe traceless directing groups (TDGs) for regioselective Sn-radical attack at the triple bonds. The two peri-annulations converge at a variety of polycyclic cores to yield expanded difunctionalized polycyclic aromatic hydrocarbons (PAHs). This approach can be extended to triple peri-annulations, where annulations are coupled with a radical cascade that connects two preexisting aromatic cores via a formal C-H activation step. The installed Bu3Sn groups serve as chemical handles for further functionalization via direct cross-coupling, iodination, or protodestannylation, and increase solubility of the products in organic olvents. Photophysical studies reveal that the Bu3Sn-substituted PAHs are moderately fluorescent, and their protodestannylation serves as a chemical switch for high fluorescence. DFT calculations identified the most likely possible mechanism of this complex chemical transformation involving two independent peri-cyclizations at the central core.<br>

ELECTRIC MOMENT AND MOLECULAR STRUCTURE. I. THE ETHYL ESTERS OF MONO- AND DICARBOXYLIC ACIDS

1931 ◽  
Vol 53 (2) ◽  
pp. 527-539 ◽  
Author(s):  
C. P. Smyth ◽  
W. S. Walls
Keyword(s):  
Molecular Structure ◽  
Dicarboxylic Acids ◽  
Ethyl Esters ◽  
Electric Moment

ELECTRIC MOMENT AND MOLECULAR STRUCTURE. VII. THE CARBON VALENCE ANGLE

1932 ◽  
Vol 54 (5) ◽  
pp. 1854-1862 ◽  
Author(s):  
C. P. Smyth ◽  
W. S. Walls
Keyword(s):  
Molecular Structure ◽  
Valence Angle ◽  
Electric Moment
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