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heteroannulenes (19) 19
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Chemistry : a European journal, ISSN 0947-6539, 2016, Volume 22, Issue 16, pp. 5504 - 5508
Acid‐catalyzed [3+3] condensation reactions of two hitherto unknown tripyrrane moieties with pentafluorobenzaldehyde has led to the formation of new generation... 
cross-conjugation | heteroannulenes | unconventional pyrrole connectivity | unorthodox tripyrranes | aromaticity
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 06/2016, Volume 22, Issue 24, pp. np - n/a
Fused Heterocycles Recent developments in many different fields of modern science and medicine, such as molecular biology, material science, drug discovery,... 
NIR emission | heteroannulenes | fused heterocycles | aromaticity | NIR absorption | Pharmaceutical industry | Drugs | Absorption | Emission | Materials science | Diagnostic systems | Conjugation | Rigidity | Inclusions
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 04/2016, Volume 11, Issue 7, pp. 986 - 990
Herein, we report the first synthesis of an unorthodox tripyrrane moiety from the regioselective β‐benzoylation of pyrrole and the acid‐catalyzed condensation... 
regioselectivity | heteroannulenes | unorthodox tripyrranes | Möbius aromaticity | core modification | TOPOLOGY | Mobius aromaticity | METALATION | COMPLEXES | EXPANDED PORPHYRINS | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | HUCKEL | CHEMISTRY | HETEROATOMS | INDEPENDENT CHEMICAL-SHIFTS | Heterocyclic compounds | Thiophene
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 2016, Volume 22, Issue 24, pp. 8026 - 8031
Two hitherto unknown planar aromatic [30] fused heterocyclic macrocycles (1.1.0.1.1.0), with NIR absorption in free‐base form and protonation‐induced enhanced... 
NIR emission | heteroannulenes | fused heterocycles | aromaticity | NIR absorption | MESO-ARYL SUBSTITUENTS | DYES | RINGS | STRUCTURAL-CHARACTERIZATION | SAPPHYRIN | MODIFIED EXPANDED PORPHYRINS | CHEMISTRY, MULTIDISCIPLINARY | DENSITY | NUCLEUS | HEXAPHYRINS | PROBE | Absorption | Synthesis | Precursors | Emission spectra | Dynamics | Emission | Electronics | Excitation
Journal Article
CHEMISTRY-A EUROPEAN JOURNAL, ISSN 0947-6539, 04/2016, Volume 22, Issue 16, pp. 5504 - 5508
Acid-catalyzed [3+3] condensation reactions of two hitherto unknown tripyrrane moieties with pentafluorobenzaldehyde has led to the formation of new generation... 
CORE | MACROCYCLES | COMPLEXES | EXPANDED PORPHYRINS | heteroannulenes | unorthodox tripyrranes | CHEMISTRY, MULTIDISCIPLINARY | SHAPE-PERSISTENT | FAMILY | DENSITY | CONJUGATION | MOBIUS AROMATICITY | cross-conjugation | unconventional pyrrole connectivity | HEXAPHYRINS | aromaticity
Journal Article
ACS CHEMICAL NEUROSCIENCE, ISSN 1948-7193, 01/2019, Volume 10, Issue 1, pp. 573 - 587
A water-soluble meso-carboxy aryl substituted [18] heteroannulene (porphyrin) and its Zn-complex have been found to be viable in targeting alpha-Syn... 
APOPTOSIS | CHEMISTRY, MEDICINAL | on-pathway oligomer | Heteroannulenes | conformational switch | BIOCHEMISTRY & MOLECULAR BIOLOGY | PORPHYRINS | NEUROBLASTOMA-CELLS | NEUROSCIENCES | DISCOVERY | PATHOGENESIS | alpha-Syn | off-pathway oligomer | BETA-SHEET | PROTEINS | neuroblastoma cell | UP-REGULATION | AGGREGATION | PARKINSONS-DISEASE
Journal Article
ACS chemical neuroscience, ISSN 1948-7193, 01/2019, Volume 10, Issue 1, pp. 573 - 587
A water-soluble meso-carboxy aryl substituted [18] heteroannulene (porphyrin) and its Zn-complex have been found to be viable in targeting α-Syn aggregation at... 
off-pathway oligomer | on-pathway oligomer | conformational switch | Heteroannulenes | neuroblastoma cell | α-Syn | Molecular Conformation - drug effects | Escherichia coli | Humans | Cell Line, Tumor | Neuroblastoma - metabolism | Neurons - metabolism | Porphyrins - pharmacology | alpha-Synuclein - metabolism | alpha-Synuclein - chemistry | Index Medicus
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 03/1998, Volume 102, Issue 11, pp. 2016 - 2028
Journal Article
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, ISSN 0009-2673, 08/1999, Volume 72, Issue 8, pp. 1737 - 1740
The kinetic energy of electrons in a one-dimensional box has the property of a linear additivity with respect to the unit length. This property coincides with... 
HETEROANNULENES | CYCLOBUTADIENE | AROMATICITY | RESONANCE ENERGIES | BENZENE | HYDROCARBONS | KINETIC-ENERGY | CHEMISTRY | ELECTRONIC DELOCALIZATION | CHEMISTRY, MULTIDISCIPLINARY | DRIVING FORCE
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 08/1997, Volume 62, Issue 17, pp. 5720 - 5727
The structures, energies, and other properties of a series of linearly annelated arenes, and of a corresponding series annelated in the fashion of... 
HETEROANNULENES | CYCLOBUTADIENE | ACENES | PI RESONANCE ENERGIES | DELOCALIZATION | CHEMISTRY, ORGANIC | ELECTRONIC SYSTEMS | BENZENOID HYDROCARBONS | DIELS-ALDER REACTIVITY | DRIVING FORCE | MOLECULES | Chemical bonds | Research | Aromatic compounds | Analysis | Benzene
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 07/1995, Volume 117, Issue 29, pp. 7760 - 7768
In response to a recent controversy over the issue of whether the pi-electrons of benzene do or do not possess a distortive tendency away from a D-6h symmetry,... 
HETEROANNULENES | CYCLOBUTADIENE | AROMATICITY | RESONANCE ENERGIES | ALLYL | CHEMISTRY | SIGMA-FRAME | SYSTEMS | ELECTRONIC DELOCALIZATION | CHEMISTRY, MULTIDISCIPLINARY | DRIVING FORCE
Journal Article
Australian Journal of Chemistry, ISSN 0004-9425, 1997, Volume 50, Issue 8, pp. 795 - 806
Conjugated π electrons in a ring system are described in terms of a transverse wave propagated along the carbon skeleton. Kekule benzene is forbidden because... 
CYCLOPROPANE | RESONANCE THEORY | HETEROANNULENES | AROMATICITY | CYCLOBUTADIENE | BENZENE | MOLECULAR-STRUCTURE | CRYSTAL-STRUCTURES | PI-ELECTRONIC SYSTEMS | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 02/1995, Volume 117, Issue 5, pp. 1514 - 1532
The synthesis of 13 trans-dimethyldihydropyrenes (bridged [14]annulenes) fused to one or more benzene, naphthalene, phenanthrene, phenalene, or quinoxaline... 
BENZANNELATED ANNULENES | HETEROANNULENES | CYCLOBUTADIENE | RESONANCE ENERGIES | ALLYL | RING CURRENTS | DELOCALIZATION | CHEMISTRY | DIHYDROPYRENES | DRIVING FORCE | Polycyclic aromatic hydrocarbons | Aromatic compounds | Research
Journal Article
CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, 09/1995, Volume 244, Issue 1-2, pp. 27 - 31
The orbital energy second derivatives with respect to the CC asymmetric stretching mode of benzene, allyl cation and allyl anion show unambigiously that the sr... 
HETEROANNULENES | CYCLOBUTADIENE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DELOCALIZATION | CHEMISTRY | CHEMISTRY, PHYSICAL | ELECTRONIC SYSTEMS | FRAME | DRIVING FORCE
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/1997, Volume 101, Issue 31, pp. 5712 - 5718
To elucidate the nature of the pseudo-Jahn−Teller (JT) effect, an energy component analysis has been carried out for the ground and electronically excited... 
TRIPLET-STATES | HETEROANNULENES | ORGANIC-MOLECULES | MOLECULAR-ORBITAL METHODS | KINETIC-ENERGY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DELOCALIZATION | CHEMISTRY, PHYSICAL | GAUSSIAN-TYPE BASIS | SYSTEMS | LCAO-MO | BOND
Journal Article
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, ISSN 0009-2673, 01/1997, Volume 70, Issue 1, pp. 61 - 70
The constrained Hartree-Fock method provides quantum-mechanically acceptable wave functions of an arbitrary electronic structure without changing the molecular... 
HETEROANNULENES | CYCLOBUTADIENE | AROMATICITY | RESONANCE ENERGIES | HYDROCARBONS | MOLECULAR-ORBITAL METHODS | KINETIC-ENERGY | DELOCALIZATION | GAUSSIAN-TYPE BASIS | CHEMISTRY, MULTIDISCIPLINARY | DRIVING FORCE
Journal Article
by Yu, ZH and Xuan, ZQ
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, ISSN 0251-0790, 03/2000, Volume 21, Issue 3, pp. 421 - 426
A procedure for separating out of pi, pi-like and sigma fragment molecular orbitals (FMO) was established, and it provides for cyclopentadiene a complete FMO... 
HETEROANNULENES | ENERGY | CYCLOBUTADIENE | BENZENE | ALLYL | orbital interaction | CHEMISTRY, MULTIDISCIPLINARY | conjugation effect | AROMATICITY | HETEROCYCLES | Morokuma energy partition | RING | SYSTEMS | fragment molecular orbitals
Journal Article
JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, ISSN 0037-9980, 04/1997, Volume 55, Issue 4, pp. 274 - 280
This paper deals with resonance and strain energies in non-planar cyclic conjugate molecules, such as C-60 and corannulene 1, including quantitative... 
HETEROANNULENES | CYCLOBUTADIENE | BENZENE | CARBON | ALLYL | strain energy | DELOCALIZATION | CHEMISTRY, ORGANIC | graphite | AROMATICITY | resonance energy | atomization enthalpy | PI | SYSTEMS | fullerene | DRIVING FORCE
Journal Article
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