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Preparation and UV/visible spectra of fullerenes $C_{60}$ and $C_{70}$

机译：富勒烯$ C_ {60} $和$ C_ {70} $的制备及其紫外/可见光谱

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We have studied electronic states of various fragments of $C_{60}$ within the Pariser-Parr-Pople (PPP) model and have obtained structural, magnetic and spectral properties of these molecules. The fragments studied include corannulene, fluoranthene and pyracylene. Pyracylene is studied using the exact valence bond (VB) approach while fluoranthene and corannulene are studied using a novel restricted CI technique which employs molecular orbitals for constructing the VB functions. The electronic excitations, bond order and ring currents are calculated for these systems. From these studies, the wide range of absorptions in $C_{60}$ can be viewed as those localized on pyracylene units or on the corannulene/ fluoranthene units. The bond orders and ring currents show the hexagons to be similar to benzene rings. The pentagon---hexagon bonds are also found to be longer than the hexagon---hexagon bonds.

机译：我们研究了Pariser-Parr-Pople（PPP）模型中$ C_ {60} $各个片段的电子状态，并获得了这些分子的结构，磁性和光谱性质。所研究的碎片包括香兰素，荧蒽和并四苯。使用精确的价键（VB）方法研究了对亚芳基，而使用新颖的受限CI技术（其利用分子轨道来构建VB功能）研究了荧蒽和荧蒽。计算出这些系统的电子激励，键序和振铃电流。从这些研究中，$ C_ {60} $中的吸收范围很广，可以看作是局限在pyr并苯单元或the喃/荧蒽单元上的那些。键序和环电流显示六边形与苯环相似。还发现五边形-六边形键比六边形-六边形键长。

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Hare JP; Kroto HW; Taylor R;
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年度 1996
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1. Reprint of: Preparation and UV/visible spectra of fullerenes C_(60) and C_(70) [J] . Hare J.P., Kroto H.W., Taylor R. Chemical Physics Letters . 2013,第Null期

机译：转载：富勒烯C_（60）和C_（70）的制备及其紫外/可见光谱
2. Theoretical ~(13)C NMR Spectra of IPR Isomers of Fullerenes C_(60),c_(70),C_(72),C_(74),C_(76),and C_(78) Studied by Density Functional Theory [J] . Guangyu Sun, Miklos Kertesz The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2000,第31期

机译：密度泛函理论研究富勒烯C_（60），c_（70），C_（72），C_（74），C_（76）和C_（78）的IPR异构体的理论〜（13）C NMR光谱
3. Semiempirical molecular dynamics studies of C_(60)/C_(70) fullerene oxides: C_(60)O, C_(60)O_2 and C_(70)O [J] . Bo-Cheng Wang, Likey Chen, Kuei-Jen Lee, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1999,第1期

机译：C_（60）/ C_（70）富勒烯氧化物：C_（60）O，C_（60）O_2和C_（70）O的半经验分子动力学研究
4. Pressure Effect on Electrical Properties and Photoluminescence Spectra of Solid C_(60) and C_(70) Fullerenes [C] . S.G. BUGA, V.D. BLANK, B. SUNDQVIST, NATO Advanced Research Workshop on Frontiers of High Pressure Research Ⅱ: Application of High Pressure to Low-Dimensional Novel Electronic Materials, Jun 10-15, 2001, Pringree Park, CO . 2001

机译：压力对固态C_（60）和C_（70）富勒烯的电性能和光致发光光谱的影响
5. The specific heat of C(70) fullerene, nanotubes, photo-polymerized C(60) fullerene, potassium doped fullerenes, and rubidium doped fullerenes. [D] . Budraa, Nasser Khalifa. 1996

机译：C（70）富勒烯，纳米管，光聚合的C（60）富勒烯，钾掺杂的富勒烯和rub掺杂的富勒烯的比热。
6. Chemometric Analysis of UV-Visible Spectral Fingerprints for the Discrimination and Quantification of Clinical Anthracycline Drug Preparation Used in Oncology [O] . Aimen El Orche, Casimir Adade Adade, Hafid Mefetah, 2021

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7. Preparation and UV/visible spectra of fullerenes $C_{60}$ and $C_{70}$ [O] . Hare JP, Kroto HW, Taylor R 1996

机译：富勒烯$ C_ {60} $和$ C_ {70} $的制备及其紫外/可见光谱

Preparation and UV/visible spectra of fullerenes $C_{60}$ and $C_{70}$

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