1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
How long are the ends of polyene chains?
Rent:
Rent this article for
USD
10.1063/1.3266565
/content/aip/journal/jcp/131/22/10.1063/1.3266565
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/22/10.1063/1.3266565

Figures

Image of FIG. 1.
FIG. 1.

Graph of the natural log of conjugated path contributions to the length of a carbon-carbon bond as a function of the length of the path. is equal to the length of the endmost bond of an polyene minus the length of the endmost bond of an length polyene. –single bond, squares—double bonds. The straight lines are best fits to , and show the asymptotic exponential decay.

Image of FIG. 2.
FIG. 2.

Graph of the natural log of cluster expansion contributions to the binding energy of a polyene as a function of the number of double bonds in the cluster. The straight line is the best fit to and shows the asymptotic exponential decay.

Tables

Generic image for table
Table I.

Structural parameters of ethylene and butadiene by various methods (bond lengths in angstroms and angles in degrees).

Generic image for table
Table II.

bond lengths (in angstroms) for polyenes. (All calculations at the MP2/cc-pVTZ level.)

Generic image for table
Table III.

bond lengths (in angstroms) for polyenes. (All calculations at the MP2/cc-pVTZ level.)

Generic image for table
Table IV.

bond lengths (in angstroms) for polyenes. (All calculations at the MP2/cc-pVTZ level.)

Generic image for table
Table V.

Basis set effects on bond lengths (in angstroms) of polyene.

Generic image for table
Table VI.

Bonding energy increment per monomer added for polyene oligomers (energies in kcal/mole).

Loading

Article metrics loading...

/content/aip/journal/jcp/131/22/10.1063/1.3266565
2009-12-08
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: How long are the ends of polyene chains?
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/22/10.1063/1.3266565
10.1063/1.3266565
SEARCH_EXPAND_ITEM