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Topic: Pentalene


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In the News (Thu 10 Dec 09)

  
  N8: A Structure Analogous to Pentalene, and Other High Energy Density Minima   (Site not responding. Last check: 2007-11-05)
In addition to the previously-studied octaazacubane structure (1), we have investigated a D2d structure (2) analogous to cyclooctatetraene, and a planar bicyclic form (3) analogous to pentalene.
Although cubane and cyclooctatetraene are known experimentally, unsubstituted pentalene has never been synthesized; nevertheless, our vibrational analysis indicates that all three nitrogen analogues, including the pentalene analogue (3) represent potential energy minima.
The metastability of (3) is attributed to two additional pi electrons present in (3) but not in pentalene, according to the rule of topological charge stabilization.
zopyros.ccqc.uga.edu /~mlleinin/Docs/n8.html   (234 words)

  
 [No title]
pentalene (5 and 5) and heptalene (7 and 7) are unstable 11.
azulene (5 and 7) and pentalene dianion are stable Alternate and nonalternate hydrocarbons  1.
nonalternate - energies not equal and opposite (pentalene) annulenes - contiguous p orbitals in cyclic structure 1.
www.chem.memphis.edu /faculty/burkey/7311/cs9.doc   (428 words)

  
 triplet
Recently, pentalene was isolated and investigated in an argon matrix [19].
In order to compare the different molecules on a common basis, the calculations were done with a relatively modest basis set (3-21G), yet these CAS(8,8) calculations (for the cases of COT and pentalene) and CAS(12,12) for heptalene, are fairly extensive even with this basis set.
Similar frequency decreases were calculated for CB and pentalene for this mode.
chem.ch.huji.ac.il /employee/haas/paper3/TRIPLET.HTM   (5303 words)

  
 Fullerene Molecular Structure
They are sometimes jocularly called buckyballs or buckytubes, depending on the shape.
The smallest fullerene in which no two pentagons share an edge (which is destabilizing — see pentalene) is C60, and as such it is also the most common.
The molecule was named for Richard Buckminster Fuller, a noted architect who created the geodesic dome.
www.worldofmolecules.com /materials/fullerene.htm   (508 words)

  
 Dr. Richard J. Mynott - MPI für Kohlenforschung
Mononuclear Pentalene and Methylpentalene Complexes of Titanium, Zirconium, and Hafnium.
In the course of such studies a close co-operation develops between the chemical research group and the NMR group.
Characterization of organometallic complexes, for example, mononuclear pentalene complexes of the transition metals, with emphasis on structure determination, investigation of the bonding relationships and structural dynamics.
www.mpi-muelheim.mpg.de /kofo/institut/forschungsinfrastruktur/nmr/mynott_e.html   (1078 words)

  
 The Sherrill Group: Research: N8
The Sherrill Group: Research: N8 : A structure analogous to pentalene, and other high energy density mimima,'' M. Leininger, C. Sherrill, and H. Schaefer, J.
2), and an intriguing planar bicyclic structure analogous to pentalene (Fig.
For such unusual bonding situations, it was absolutely required to employ high-level ab initio electronic structure theory, rather than semiempirical or force-field calculations, because these molecules are almost certainly very different from any of the ``training set'' molecules used to calibrate empirical methods.
vergil.chemistry.gatech.edu /research/n8/n8.html   (366 words)

  
 Catalogo Articoli   (Site not responding. Last check: 2007-11-05)
The former is due to the vibronic relaxation from upper S-3 levels to the S-3 minimum, the latter to the decay from S-3 to S-0.
This interpretation is in good agreement with results of ab initio calculations on pentalene and its alkyl derivatives, 1,3,5-tri-ethyl, 1,3,5-tri-sec-propyl and 1,3,5-tri-tert-butyl.
CalculatedS-3-->S-n and S-4-->S-n absorption spectra of pentalene at the S-0, S-3 and S-4 equilibrium geometries indicate that vibronic levels of S-3 rather than of S-4 are excited by the strong pump pulse with subsequent decay withinthis state.
serials.cib.unibo.it /cgi-ser/start/it/spogli/df-s.tcl?prog_art=4126289&language=ITALIANO&view=articoli   (313 words)

  
 PAN Product Info for Bartel's redy coat pentalene wood preservative no.454
Product Name: Bartel's redy coat pentalene wood preservative no.454
Toxicity for Bartel's redy coat pentalene wood preservative no.454
Distributor Names for Bartel's redy coat pentalene wood preservative no.454
www.pesticideinfo.org /Detail_Product.jsp?REG_NR=00583100002&DIST_NR=005831   (575 words)

  
 [No title]   (Site not responding. Last check: 2007-11-05)
In benzene solution a COT is formed, but this photoproduct has an abnormal substitution pattern which is not explicable in terms of a (2+2)-cycloaddition mechanism.
In solid-state photolysis the major product is a new type, with a pentalene structure, which provides an important clue in deriving a mechanism for its formation, involving a pentalene-like biradical intermediate; this mechanism also accounts for the formation of the unexpected COT.
Further studies indicate that derivatives with 3 or 4 substituents give abnormal COTs, while those with 2 substituents give (2+2)-cycloaddition COTs, so that the differences in behaviour probably result from differences in steric crowding.
www.za.iucr.org /iucr-top/cong/17/iucr/abstracts/abstracts/E0207.html   (197 words)

  
 conint
The anchors are chosen to be the three possible isomers shown in scheme II, the transition from one to the other being via the antiaromatic structures A-B, B-C and C-A, in which the pentalene part is symmetric, (i.e.
It has been shown that the symmetric petalene ground state structure is formed by the out-of-phase combination of the two Kekulé structures [33].
Examples are any antiaromatic transition state, involving for instance structures such as planar cyclobutadiene, pentalene, heptalene or cyclooctatetraene.
chem.ch.huji.ac.il /employee/haas/paper4/conint.htm   (6740 words)

  
 Chemical Reactivity
hydrocarbon pentalene does not exist as a stable compound, and its hexaphenyl derivative is air sensitive.
On the other hand, azulene is a stable 10-π-electron hydrocarbon that incorporates structural features of both pentalene and heptalene.
Azuleneis a stable blue crystalline solid that undergoes a number of typical aromatic substitution reactions.
www.cem.msu.edu /~reusch/VirtualText/react3.htm   (3905 words)

  
 美国专利申请公开说明书 20040192931 - Process for the preparation of heterocyclic pentalene derivatives   (Site not responding. Last check: 2007-11-05)
美国专利申请公开说明书 20040192931 - Process for the preparation of heterocyclic pentalene derivatives
Process for the preparation of heterocyclic pentalene derivatives
Bicyclo ring system having the hetero ring as one of the cyclos
cxp.paterra.com /uspregrant20040192931cn.html   (205 words)

  
 Komplette Publikationsliste - Prof. Dr. Jonas
GLEITER, R., S. JONAS: Electronic Structure of Bispentalene Complexes of Titanium, Zirconium, and Hafnium: A Photoelectron Spectroscopy Study.
JONAS, K.: Pentalene as a Ligand in the Organometallic Chemistry of d-Transition Metals.
KRÜGER: Einkernige Pentalen- und Methylpentalen-Komplexe von Titan, Zirconium und Hafnium.
www.mpi-muelheim.mpg.de /kofo/institut/arbeitsbereiche/jonas/jonas_pub.html   (434 words)

  
 N8: A Structure Analogous to Pentalene, and Other High Energy Density Minima   (Site not responding. Last check: 2007-11-05)
: A Structure Analogous to Pentalene, and Other High Energy Density Minima,'' M. Leininger, C. Sherrill and H. Schaefer, J.
In addition to the previously-studied octaazacubane structure (1), we have investigated a D
structure (2) analogous to cyclooctatetraene, and a planar bicyclic form (3) analogous to pentalene.
vergil.chemistry.gatech.edu /pubs/abstracts/n8.html   (236 words)

  
 Non-identical twins
Ruthenium triangle edge-bonded to the tri-substituted pentalene ligand
Ruthenium triangle face-bonded to the tri-substituted pentalene ligand
I still haven't figured out how to get the program (WebLab Viewer from MSI) to display bonds between the atoms of the Ruthenium triangle, when using a pdb file format to generate these crystal packing diagrams.
www.stansfield.com /rob/xray-phd-twins.html   (52 words)

  
 U.S. Pregrants under IPC A 61 K 31/5578 - having a pentalene ring system, e.g. carbacyclin, iloprost   (Site not responding. Last check: 2007-11-05)
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U.S. Pregrants under IPC A 61 K 31/5578 - having a pentalene ring system, e.g.
Current U.S pregrants under IPC 31/5578having a pentalene ring system, e.g.
cxp.paterra.com /uspregrants7A61K03155780000.rss   (53 words)

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