首页 > 最新文献

Fullerene Science and Technology最新文献

英文 中文
Near-Infrared Laser-Induced Decomposition of C60 Dissolved in Toluene 近红外激光诱导分解溶解于甲苯中的C60
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351416
L. Juha, B. Ehrenberg, S. Couris, E. Koudoumas, V. Hamplová, Z. Pokorná, A. Müllerová, M. Pavel
Abstract In this paper we describe the efficient and substantial decomposition of C60 in toluene solution, induced by moderate intensity (I = 20 - 55 MW cm−2) near infrared (γ = 1064 nm) laser radiation. This behavior is surprising since both uncharged fullerene and toluene do not have any absorption bands at this wavelength. The decomposition efficiency and products are investigated with UV-Vis absorption spectrophotometry and high-performance liquid-chromatography (HPLC). Possible mechanisms of the fullerene decomposition are discussed.
本文描述了中等强度(I = 20 ~ 55 MW cm−2)近红外(γ = 1064 nm)激光在甲苯溶液中对C60的高效、实质性分解。这种行为是令人惊讶的,因为不带电的富勒烯和甲苯在这个波长没有任何吸收带。采用紫外-可见吸收分光光度法和高效液相色谱法对其分解效率和产物进行了研究。讨论了富勒烯分解的可能机理。
{"title":"Near-Infrared Laser-Induced Decomposition of C60 Dissolved in Toluene","authors":"L. Juha, B. Ehrenberg, S. Couris, E. Koudoumas, V. Hamplová, Z. Pokorná, A. Müllerová, M. Pavel","doi":"10.1080/10641220009351416","DOIUrl":"https://doi.org/10.1080/10641220009351416","url":null,"abstract":"Abstract In this paper we describe the efficient and substantial decomposition of C60 in toluene solution, induced by moderate intensity (I = 20 - 55 MW cm−2) near infrared (γ = 1064 nm) laser radiation. This behavior is surprising since both uncharged fullerene and toluene do not have any absorption bands at this wavelength. The decomposition efficiency and products are investigated with UV-Vis absorption spectrophotometry and high-performance liquid-chromatography (HPLC). Possible mechanisms of the fullerene decomposition are discussed.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"1 1","pages":"319 - 336"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77491987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computations of Low-Energy Non-Icosahedral Structures of C6− 60 C6−60低能非二十面体结构的计算
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351421
Z. Slanina, F. Uhlík, J. François, E. Ōsawa
Abstract Owing to the three-fold degeneracy of the LUMO in C60, its hexa-anion is not subjected to Jahn-Teller distortions. In contrast to the accepted presumptions, however, computations at the MNDO, AMI, PM3, SAM1, HF/STO-3G, HF/3-21G, and HF/4-31G levels show that the completely relaxed, non-icosahedral cage of C6− 60is lower in energy. The computed energy gain varies between 60 and 150 kJ/mol and thus, it is consistently significant (the most sophisticated approach, HF/4-31G, yields 93 kJ/mol). The longest C-C bond in the relaxed structures is at most computed 0.05 Å longer compared to the 5/6 bond in the icosahedral C6− 60The symmetry of C6− 60is relaxed to D2 A C2v, isomer is discussed, too.
由于C60中LUMO的三重简并,它的六阴离子不受jann - teller畸变。然而,与公认的假设相反,在MNDO、AMI、PM3、SAM1、HF/STO-3G、HF/3-21G和HF/4-31G水平上的计算表明,C6−60的完全松弛、非二十面体笼的能量较低。计算的能量增益在60和150 kJ/mol之间变化,因此,它始终是显著的(最复杂的方法,HF/4-31G,产生93 kJ/mol)。弛豫结构中最长的C-C键最多比二十面体C6 - 60的5/6键长0.05 Å。C6 - 60的对称弛豫为D2 A C2v,并讨论了同分异构体。
{"title":"Computations of Low-Energy Non-Icosahedral Structures of C6− 60","authors":"Z. Slanina, F. Uhlík, J. François, E. Ōsawa","doi":"10.1080/10641220009351421","DOIUrl":"https://doi.org/10.1080/10641220009351421","url":null,"abstract":"Abstract Owing to the three-fold degeneracy of the LUMO in C60, its hexa-anion is not subjected to Jahn-Teller distortions. In contrast to the accepted presumptions, however, computations at the MNDO, AMI, PM3, SAM1, HF/STO-3G, HF/3-21G, and HF/4-31G levels show that the completely relaxed, non-icosahedral cage of C6− 60is lower in energy. The computed energy gain varies between 60 and 150 kJ/mol and thus, it is consistently significant (the most sophisticated approach, HF/4-31G, yields 93 kJ/mol). The longest C-C bond in the relaxed structures is at most computed 0.05 Å longer compared to the 5/6 bond in the icosahedral C6− 60The symmetry of C6− 60is relaxed to D2 A C2v, isomer is discussed, too.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"343 1","pages":"403 - 415"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91458462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
A Computational Treatment of 35 IPR Isomers of C88 C88 35种IPR异构体的计算处理
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351422
Z. Slanina, F. Uhlík, M. Yoshida, E. Ōsawa
Abstract The complete sets of 35 isolated-pentagon-rule (IPR) isomers of C88 is described by the SAM1 (Semi-Ab-initio Model 1) quantum-chemical method. The separation energetics is also computed at the HF/STO-3G, HF/3-21G, and HF/4-31G levels. The SAM1 and HF/4-31G data mostly agree within a few kJ/mol. As the SAM1 energetics does not reproduce the recent NMR observations, entropy contributions are included, too, being based on the harmonic-oscillator and rigid-rotator model. Considerable temperature effects on the relative stabilities in the system are found. The ground-state structure of C88 is a C 3 isomer, however, with an increase of temperature a C 2 structure becomes important. At still higher temperatures a near C 2 species is dominant. The results can be viewed as a good agreement with the available observations, and they further expand the family of the IPR sets where the thermodynamic equilibrium treatment allows for a satisfactory support of observations.
摘要用SAM1 (Semi-Ab-initio Model 1)量子化学方法描述了C88的35个隔离五边形规则(IPR)异构体的完备集。同时计算了HF/STO-3G、HF/3-21G和HF/4-31G水平下的分离能量。SAM1和HF/4-31G数据在几个kJ/mol范围内基本一致。由于SAM1的能量学不能再现最近的核磁共振观测,熵的贡献也被包括在内,这是基于谐振子和刚性旋转器模型。发现温度对系统的相对稳定性有相当大的影响。C88的基态结构为c3异构体,但随着温度的升高,c2结构变得重要。在更高的温度下,接近二氧化碳的物种占主导地位。结果可以看作是与现有的观测值很好的一致,它们进一步扩大了热力学平衡处理允许观测值满意支持的IPR集的家族。
{"title":"A Computational Treatment of 35 IPR Isomers of C88","authors":"Z. Slanina, F. Uhlík, M. Yoshida, E. Ōsawa","doi":"10.1080/10641220009351422","DOIUrl":"https://doi.org/10.1080/10641220009351422","url":null,"abstract":"Abstract The complete sets of 35 isolated-pentagon-rule (IPR) isomers of C88 is described by the SAM1 (Semi-Ab-initio Model 1) quantum-chemical method. The separation energetics is also computed at the HF/STO-3G, HF/3-21G, and HF/4-31G levels. The SAM1 and HF/4-31G data mostly agree within a few kJ/mol. As the SAM1 energetics does not reproduce the recent NMR observations, entropy contributions are included, too, being based on the harmonic-oscillator and rigid-rotator model. Considerable temperature effects on the relative stabilities in the system are found. The ground-state structure of C88 is a C 3 isomer, however, with an increase of temperature a C 2 structure becomes important. At still higher temperatures a near C 2 species is dominant. The results can be viewed as a good agreement with the available observations, and they further expand the family of the IPR sets where the thermodynamic equilibrium treatment allows for a satisfactory support of observations.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"143 1","pages":"417 - 432"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78204604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
C60(NO2)2: Quantum-Chemical Evaluations of Structure, Energetics, and Vibrational Spectra C60(NO2)2:结构、能量学和振动光谱的量子化学评价
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351418
Z. Slanina, T. Sugiki, Xiang Zhao, Shyi-Long Lee, L. Chiang, E. Ōsawa
Abstract The complete PM3 structural optimizations are reported for all 23 positional isomers of C60(NO2)2 and interesting symmetry reductions are found. There are two low energy structures while all the remaining species are separated by more than 10 kcal/mol from the computed ground state. In the ground state the two nitro groups are placed in para position on one hexagon. The next lowest structure is produced by addition to one 6/6 (double) bond of the cage. The species highest in energy are separated by more than 50 kcal/mol from the ground state. IR vibrational spectra are also predicted for the low-energy structures.
摘要对C60(NO2)2的23个位置异构体进行了完整的PM3结构优化,并发现了有趣的对称性降低。有两个低能结构,而所有剩余的物种与计算的基态相差超过10千卡/摩尔。在基态下,两个硝基在一个六边形上以对位放置。下一个最低的结构是通过添加笼的一个6/6(双)键而产生的。能量最高的物质与基态之间的距离超过50千卡/摩尔。对低能结构的红外振动谱进行了预测。
{"title":"C60(NO2)2: Quantum-Chemical Evaluations of Structure, Energetics, and Vibrational Spectra","authors":"Z. Slanina, T. Sugiki, Xiang Zhao, Shyi-Long Lee, L. Chiang, E. Ōsawa","doi":"10.1080/10641220009351418","DOIUrl":"https://doi.org/10.1080/10641220009351418","url":null,"abstract":"Abstract The complete PM3 structural optimizations are reported for all 23 positional isomers of C60(NO2)2 and interesting symmetry reductions are found. There are two low energy structures while all the remaining species are separated by more than 10 kcal/mol from the computed ground state. In the ground state the two nitro groups are placed in para position on one hexagon. The next lowest structure is produced by addition to one 6/6 (double) bond of the cage. The species highest in energy are separated by more than 50 kcal/mol from the ground state. IR vibrational spectra are also predicted for the low-energy structures.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"118 1","pages":"351 - 367"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87675173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Metal-Coated Fullerenes C60Mn: Calculations for M = Be, Mg, Al AND n = 12, 20, 32 金属包覆富勒烯C60Mn: M = Be, Mg, Al和n = 12,20,32的计算
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351420
Z. Slanina, C. Miyajima, Xiang Zhao, F. Uhlík, L. Adamowicz, E. Ōsawa
Abstract Semiempirical quantum-chemical PM3 calculations are reported for a relatively new class of exohedral metallo-fullerenes - metal-coated or metal-covered fullerenes: C60Mn. The exohedral species were recently observed, however, their geometrical and electronic structure is not known yet. In this paper, relatively-even metal-atom distributions over the fullerene rings are considered - such regular forms are computed for M= Be, Mg, Al. Three selected stoichiometrics are treated: C60M12, C60M20, and C60M32. The stoichiometrics correspond to the location of the metal atoms above the twelve pentagons, above the twenty hexagons, and above each of the thirty two rings of C60 This interesting arrangement over the rings is possible only for some types of atoms, while other elements are localized above bonds or atoms, or inside the cage, or even react and destroy the cage. Other limitation comes from the parametrization of the computational methods - the computations are performed with the PM3 semiempirical method and metal-layer atomization heats are used as a stability measure. Structural characteristics are presented, too. Considerable reductions of the cage symmetry are reported and their relationships to Jahn-Teller effect are discussed, too (no case of the icosahedral symmetry is found).
摘要报道了一类相对较新的外面体金属富勒烯-金属包覆或金属包覆富勒烯:C60Mn的半经验量子化学PM3计算。外面体物质是近年来发现的,但其几何结构和电子结构尚不清楚。本文考虑了富勒烯环上相对均匀的金属原子分布——计算了M= Be, Mg, Al的这种规则形式。处理了三种选定的化学计量量:C60M12, C60M20和C60M32。化学统计量对应于金属原子在12个五边形,20个六边形,以及C60的32个环上的位置。这种有趣的环上排列只对某些类型的原子是可能的,而其他元素则定位于键或原子之上,或在笼内,甚至反应并破坏笼。其他限制来自于计算方法的参数化-计算是用PM3半经验方法进行的,金属层雾化热被用作稳定性测量。此外,还介绍了其结构特征。报道了笼形对称性的显著降低,并讨论了笼形对称性与扬-泰勒效应的关系(没有发现二十面体对称的情况)。
{"title":"Metal-Coated Fullerenes C60Mn: Calculations for M = Be, Mg, Al AND n = 12, 20, 32","authors":"Z. Slanina, C. Miyajima, Xiang Zhao, F. Uhlík, L. Adamowicz, E. Ōsawa","doi":"10.1080/10641220009351420","DOIUrl":"https://doi.org/10.1080/10641220009351420","url":null,"abstract":"Abstract Semiempirical quantum-chemical PM3 calculations are reported for a relatively new class of exohedral metallo-fullerenes - metal-coated or metal-covered fullerenes: C60Mn. The exohedral species were recently observed, however, their geometrical and electronic structure is not known yet. In this paper, relatively-even metal-atom distributions over the fullerene rings are considered - such regular forms are computed for M= Be, Mg, Al. Three selected stoichiometrics are treated: C60M12, C60M20, and C60M32. The stoichiometrics correspond to the location of the metal atoms above the twelve pentagons, above the twenty hexagons, and above each of the thirty two rings of C60 This interesting arrangement over the rings is possible only for some types of atoms, while other elements are localized above bonds or atoms, or inside the cage, or even react and destroy the cage. Other limitation comes from the parametrization of the computational methods - the computations are performed with the PM3 semiempirical method and metal-layer atomization heats are used as a stability measure. Structural characteristics are presented, too. Considerable reductions of the cage symmetry are reported and their relationships to Jahn-Teller effect are discussed, too (no case of the icosahedral symmetry is found).","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"1 1","pages":"385 - 402"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86585592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Fullerene Research in the Czech Republic 捷克共和国的富勒烯研究
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351412
T. Braun
Abstract Fullerene Science and Technology, both the field and the journal, have observed considerable progress during the last few years. The field has continued to mature as witnessed by the many new and interesting results published in thousands of journal articles (1-3) and in a multitude of books and conference proceedings. The recognition of fullerene sciences as a self-containing field of research has been culminating in the awarding of the 1996 Chemistry Nobel Prize to Professors Robert S. Curl, Harold W. Kroto, and Richard E. Smailey.
富勒烯科学与技术,无论是该领域还是该期刊,在过去的几年里都取得了长足的进步。在成千上万的期刊文章(1-3)和众多书籍和会议记录中发表的许多新的和有趣的结果见证了该领域的不断成熟。对富勒烯科学作为一个独立研究领域的认识,在1996年诺贝尔化学奖授予罗伯特·s·库尔、哈罗德·w·克罗托和理查德·e·斯迈利教授时达到了顶峰。
{"title":"Fullerene Research in the Czech Republic","authors":"T. Braun","doi":"10.1080/10641220009351412","DOIUrl":"https://doi.org/10.1080/10641220009351412","url":null,"abstract":"Abstract Fullerene Science and Technology, both the field and the journal, have observed considerable progress during the last few years. The field has continued to mature as witnessed by the many new and interesting results published in thousands of journal articles (1-3) and in a multitude of books and conference proceedings. The recognition of fullerene sciences as a self-containing field of research has been culminating in the awarding of the 1996 Chemistry Nobel Prize to Professors Robert S. Curl, Harold W. Kroto, and Richard E. Smailey.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"20 1","pages":"vii - vii"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88554738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic Properties of He@C60 He@C60的热力学性质
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351425
F. Uhlík, Z. Slanina, E. Ōsawa
Abstract Contributions to thermodynamic properties of the endohedral He@C60, resulting from motion of He inside the cage, are calculated. The contribution to C v shows a maximum at low temperatures. The maxima for 3He@C60 and 4He@C60 are at about 41 K and 30 K, respectively.
摘要计算了He在笼内运动对He@C60内腔热力学性质的贡献。对cv的贡献在低温时达到最大值。3He@C60和4He@C60的最大值分别约为41 K和30 K。
{"title":"Thermodynamic Properties of He@C60","authors":"F. Uhlík, Z. Slanina, E. Ōsawa","doi":"10.1080/10641220009351425","DOIUrl":"https://doi.org/10.1080/10641220009351425","url":null,"abstract":"Abstract Contributions to thermodynamic properties of the endohedral He@C60, resulting from motion of He inside the cage, are calculated. The contribution to C v shows a maximum at low temperatures. The maxima for 3He@C60 and 4He@C60 are at about 41 K and 30 K, respectively.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"769 1","pages":"453 - 460"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76936861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 8
B3LYP/6-31G*//SAM1 Calculations of C36 Fullerene and quasi-Fullerene Cages B3LYP/6-31G*//SAM1 C36富勒烯和准富勒烯笼的计算
Pub Date : 2000-07-01 DOI: 10.1080/10641220009351423
Z. Slanina, F. Uhlík, Xiang Zhao, H. Ueno, E. Ōsawa
Abstract The recently isolated fullerene C36 is computed by the SAM1 method with energetics refined at the B3LYP/6-31G* level. Twelve low-energy cages are considered in detail, exhibiting both fullerene (pentagons and hexagons) and quasi-fullerene (also squares and heptagons) pattern. In contrast to other fullerene systems, the SAM1 and B3LYP/6-31G* methods do produce somewhat different energetics. Consequently, the equilibrium isomeric composition at high temperatures is different, too. In the best affordable B3LYP/6-31G* approach the fullerene cage with the topological D 6d symmetry represents the most populated species at high temperatures. Hence, an agreement with the solid-state NMR experiment is achieved at the B3LYP/6-31G* theoretical level.
摘要采用SAM1方法计算了最近分离的富勒烯C36,能量学在B3LYP/6-31G*水平上进行了改进。对12个低能笼进行了详细的研究,显示了富勒烯(五角形和六角形)和准富勒烯(方形和七角形)的模式。与其他富勒烯体系相比,SAM1和B3LYP/6-31G*方法确实产生了一些不同的能量学。因此,高温下的平衡异构体组成也不同。在最经济的B3LYP/6-31G*方法中,具有拓扑D - 6d对称性的富勒烯笼在高温下代表了最多的物种。因此,在B3LYP/6-31G*理论水平上与固体核磁共振实验结果一致。
{"title":"B3LYP/6-31G*//SAM1 Calculations of C36 Fullerene and quasi-Fullerene Cages","authors":"Z. Slanina, F. Uhlík, Xiang Zhao, H. Ueno, E. Ōsawa","doi":"10.1080/10641220009351423","DOIUrl":"https://doi.org/10.1080/10641220009351423","url":null,"abstract":"Abstract The recently isolated fullerene C36 is computed by the SAM1 method with energetics refined at the B3LYP/6-31G* level. Twelve low-energy cages are considered in detail, exhibiting both fullerene (pentagons and hexagons) and quasi-fullerene (also squares and heptagons) pattern. In contrast to other fullerene systems, the SAM1 and B3LYP/6-31G* methods do produce somewhat different energetics. Consequently, the equilibrium isomeric composition at high temperatures is different, too. In the best affordable B3LYP/6-31G* approach the fullerene cage with the topological D 6d symmetry represents the most populated species at high temperatures. Hence, an agreement with the solid-state NMR experiment is achieved at the B3LYP/6-31G* theoretical level.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"32 1","pages":"433 - 447"},"PeriodicalIF":0.0,"publicationDate":"2000-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84726841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Fullerene Research in Poland 富勒烯研究在波兰
Pub Date : 2000-05-01 DOI: 10.1080/10641220009351409
A. Graja
Abstract Main results of the investigations of fullerene and its derivatives are briefly reviewed. Such topics as plasma spectroscopy, fullerenes and nanotubes formation, C60 carbyne knots, fullerene reduction and doping, charge transfer states and electroabsorption of C60, electrical conductivity, superconductivity, ESR properties, fullerene clathrates, C60/C70 complexes with organic donors, fullerene adducts, hydrogenated fullerenes, metallofullerenes and carbon nanotubes are discussed.
综述了近年来富勒烯及其衍生物研究的主要成果。讨论的主题包括等离子体光谱、富勒烯和纳米管的形成、C60碳炔结、富勒烯还原和掺杂、C60的电荷转移态和电吸收、电导率、超导性、ESR性能、富勒烯笼形物、与有机供体的C60/C70配合物、富勒烯加合物、氢化富勒烯、金属富勒烯和碳纳米管。
{"title":"Fullerene Research in Poland","authors":"A. Graja","doi":"10.1080/10641220009351409","DOIUrl":"https://doi.org/10.1080/10641220009351409","url":null,"abstract":"Abstract Main results of the investigations of fullerene and its derivatives are briefly reviewed. Such topics as plasma spectroscopy, fullerenes and nanotubes formation, C60 carbyne knots, fullerene reduction and doping, charge transfer states and electroabsorption of C60, electrical conductivity, superconductivity, ESR properties, fullerene clathrates, C60/C70 complexes with organic donors, fullerene adducts, hydrogenated fullerenes, metallofullerenes and carbon nanotubes are discussed.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"19 1","pages":"187 - 223"},"PeriodicalIF":0.0,"publicationDate":"2000-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81565556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
A Model Compound Study About Carbon Black and Diene Rubber Interaction: The Reactivity of C60 Fullerene with Squalene 炭黑与二烯橡胶相互作用的模型化合物研究:C60富勒烯与角鲨烯的反应性
Pub Date : 2000-05-01 DOI: 10.1080/10641220009351406
F. Cataldo
Abstract The reaction between squalene and C60 fullerene was studied by electronic and FT-IR spectroscopy as well as by thermal analysis (TGA and DTA). This study was conducted to simulate in vitro, with model compounds, the interaction occuring during mixing between dienic rubber and carbon black. Squalene was used as model compound for dienic rubber and C60 fullerene as model compound for carbon black since fullerene-like sites have been recently identified on carbon black surface. The experimental results show that 2,5 molecules of C60 become chemically bound to each squalene molecule under thermo-oxidative conditions simulating part of the mixing cycle between rubber and carbon black. The implications of this result involve the explanation of the phenomenon known as “bound rubber”, which is the amount of chemisorbed polymer on filler surface after mixing, as well as the reinforcement effects observed by filling rubber with carbon black and the mechanical hysteresis of a rubber compound.
摘要采用电子光谱、红外光谱以及热分析(热重分析和差热分析)研究了角鲨烯与C60富勒烯的反应。本研究采用模型化合物,在体外模拟了二烯橡胶与炭黑混合过程中的相互作用。由于近年来在炭黑表面发现了类富勒烯位点,因此采用角鲨烯作为二烯橡胶的模型化合物,C60富勒烯作为炭黑的模型化合物。实验结果表明,在模拟橡胶与炭黑混合循环的热氧化条件下,2.5个C60分子与每个角鲨烯分子发生化学结合。这一结果的含义涉及到被称为“粘结橡胶”的现象的解释,即混合后在填料表面化学吸附聚合物的量,以及用炭黑填充橡胶所观察到的增强效应和橡胶化合物的机械滞后。
{"title":"A Model Compound Study About Carbon Black and Diene Rubber Interaction: The Reactivity of C60 Fullerene with Squalene","authors":"F. Cataldo","doi":"10.1080/10641220009351406","DOIUrl":"https://doi.org/10.1080/10641220009351406","url":null,"abstract":"Abstract The reaction between squalene and C60 fullerene was studied by electronic and FT-IR spectroscopy as well as by thermal analysis (TGA and DTA). This study was conducted to simulate in vitro, with model compounds, the interaction occuring during mixing between dienic rubber and carbon black. Squalene was used as model compound for dienic rubber and C60 fullerene as model compound for carbon black since fullerene-like sites have been recently identified on carbon black surface. The experimental results show that 2,5 molecules of C60 become chemically bound to each squalene molecule under thermo-oxidative conditions simulating part of the mixing cycle between rubber and carbon black. The implications of this result involve the explanation of the phenomenon known as “bound rubber”, which is the amount of chemisorbed polymer on filler surface after mixing, as well as the reinforcement effects observed by filling rubber with carbon black and the mechanical hysteresis of a rubber compound.","PeriodicalId":12470,"journal":{"name":"Fullerene Science and Technology","volume":"25 1","pages":"153 - 164"},"PeriodicalIF":0.0,"publicationDate":"2000-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89978779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 14
期刊
Fullerene Science and Technology
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1