Generalized valence bond orbital interactions (GVB-OIs) and Huckel's 4n+2/4n rule for aromaticity/antiaromaticity

S. K. Pal

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Generalized valence bond orbital interactions (GVB-OIs) and Huckel's 4n+2/4n rule for aromaticity/antiaromaticity

机译：广义价键轨道相互作用（GVB-OIs）和Huckel关于芳香性/反芳香性的4n + 2 / 4n规则

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The generalized valence bond orbital interactions (GVB-OIs) within the periphery of a cyclic polyene, each of which jnvolves two bonding electrons and one nonbonding electron and occurs following Pauli's principle, have enabled us to derive Hiickei's 4n + 2/4n rule for aromaticity/antiaromaticity respectively.

机译：环状多烯外围的广义价键轨道相互作用（GVB-OIs），每个环都旋转两个键合电子和一个非键合电子，并遵循保利原理发生，这使我们能够推导希基的4n + 2 / 4n芳香性定律/反芳香性。

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《Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems》 |1995年第2期|共4页
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S. K. Pal;
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1. Generalized valence bond orbital interactions (GVB-OIs) and Huckel's 4n+2/4n rule for aromaticity/antiaromaticity [J] . S. K. Pal Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1995,第2期

机译：广义价键轨道相互作用（GVB-OIs）和Huckel关于芳香性/反芳香性的4n + 2 / 4n规则
2. Macrocyclic [4n+2]-Huckel aromatic systems up to n = 9 and [4n] antiaromatic systems up to n = 10: Homologous sequences from tetraepoxy[24]annulene(2.0.2.0) to tetraepoxy[40]annulene(12.0.12.0) and from the 'tetraoxa[22]porphyrin(2.0.2.0)'- to the 't [J] . Markl V., Kreitmeier P., Burgemeister T., Helvetica chimica acta . 1998,第8期

机译：高达n = 9的大环[4n + 2] -Huckel芳族体系和高达n = 10的[4n]抗芳族体系：从四环氧[24]环戊烯（2.0.2.0）到四环氧[40]环戊烯（12.0.12.0）的同源序列）和从'tetraoxa [22] porphyrin（2.0.2.0）'-到't
3. Patterns of π-electron derealization in aromatic and antiaromatic organic compounds in the light of Huckel's 4n + 2 rule [J] . Ferran Feixas, Eduard Matito, Miquel Sola Physical chemistry chemical physics: PCCP . 2010,第26期

机译：根据Huckel的4n + 2规则，芳族和抗芳族有机化合物中π电子的脱位模式
4. Theoretical Consideration of Singlet Open-Shell Character of Polyperiacenes Using Clar's Aromatic Sextet Valence Bond Model and Quantum Chemical Calculations [C] . Akihiro Shimizu, Yasukazu Hirao, Takashi Kubo, International Conference of Computational Methods in Sciences and Engineering . 2014

机译：用Clar的芳香族六号价键合模型和量子化学计算，多萜酸单向突出壳特征的理论考虑
5. Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls: New basis sets, geometry of trichloromethyltitanium, and bonding of bis(cyclopentadienyldicarbonylchromium). [D] . Williamson, Rodney Lowell. 1989

机译：含氢和桥联羰基的过渡金属化合物的分子轨道，广义价键和完整的活性空间计算：新的基集，三氯甲基钛的几何形状和双（环戊二烯基二羰基铬）的键合。
6. The Pairwise Correlated Generalized Valence Bond Model of Electronic Structure I; The Estimation of Pair Energies from Orbital Overlaps [O] . G. A. Petersson 2014

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7. The electronic structure of some polyenes and aromatic molecules V-A comparison of molecular orbital and valence bond methods. [O] . G. W. Wheland, John Edward Lennard-Jones 1938

机译：一些聚烯酶和芳族分子的电子结构V-分子轨道和价键方法的比较。
8. The Infrared Spectra of Aromatic Compounds Ⅱ. Evidence Concerning the Interaction of π-Electrons and 0~-Bond Orbitals in C-H Out-Of-Plane Bending Vibrations [R] . R. D. Kross, V. A. Fassel, M. Margoshes 1955

机译：芳香族化合物的红外光谱Ⅱ。关于C-H面外弯曲振动中π电子与0~键轨道相互作用的证据

Generalized valence bond orbital interactions (GVB-OIs) and Huckel's 4n+2/4n rule for aromaticity/antiaromaticity

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