Structural trends in ten-vertex endohedral clusters, M@E_(10) and the synthesis of a new member of the family, Fe@Sn_(10)~(3-)

Kr?mer T.; Duckworth J.C.A.; Ingram M.D.Zhou B.Mcgrady J.E.Goicoechea J.M.

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Structural trends in ten-vertex endohedral clusters, M@E_(10) and the synthesis of a new member of the family, Fe@Sn_(10)~(3-)

【24h】

Structural trends in ten-vertex endohedral clusters, M@E_(10) and the synthesis of a new member of the family, Fe@Sn_(10)~(3-)

机译：

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The synthesis of a new endohedral ten-vertex Zintl ion cluster, Fe@Sn _(10)~(3-), isoelectronic with Fe@Ge_(10) ~(3-), is reported. In an attempt to place this new cluster within the context of the known structural chemistry of the M@E_(10) family (M = transition metal, E = main group element), we have carried out a detailed electronic structure analysis of the different structural types: viz bicapped square antiprismatic (Ni@Pb_(10)~(2-), Zn@In _(10)~(8-)), tetra-capped trigonal prismatic (Ni@In _(10)~(10-)) and the remarkable pentagonal prismatic Fe@Ge_(10)~(3-) and Co@Ge_(10)~(3-). We establish that the structural trends can be interpreted in terms of a continuum of effective electron counts at the E_(10) cage, ranging from electron deficient (4n + 2) in Fe@Ge_(10)~(3-). The effective electron count differs from the total valence electron count in that it factors in the increasingly active role of the metal d electrons towards the left of the transition series. The preference for a pentagonal prismatic geometry in Fe@Ge_(10)~(3-) emerges as a natural consequence of backbonding to the cage from four orthogonal 3d orbitals of the low-valent metal ion. Our calculations suggest that the new Fe@Sn_(10)~(3-) cluster should also exhibit structural consequences of backbonding from the metal to the cage, albeit to a less extreme degree than in its Ge analogue. The global minimum lies on a very flat surface connecting D_(4d), C _(2v) and C_(3v)-symmetric minima, suggesting a very plastic structure that may be easily deformed by the surrounding crystal environment. If so, then this provides a new and quite distinct structural type for the M@E_(10) family.

著录项

来源
《Dalton transactions: An international journal of inorganic chemistry》 |2013年第34期|12120-12129|共10页
作者
Kr?mer T.; Duckworth J.C.A.; Ingram M.D.Zhou B.Mcgrady J.E.Goicoechea J.M.;
展开▼
作者单位

Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, United Kingdom;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类 54;
关键词
Structural; ten-vertex; backbonding;

相似文献

外文文献
中文文献
专利

1. Synthesis and structural characterization of the nitrido-carbonyl cluster anion Co10N2(CO)(9)(mu-CO)(10)(4-) having an unprecedented metal cage built of three condensed trigonal prisms [J] . Fumagalli A., Tasselli M., Ciani G.Macchi P.Sironi A.Martinengo S. Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 1998,第11期

机译：Synthesis and structural characterization of the nitrido-carbonyl cluster anion Co10N2(CO)(9)(mu-CO)(10)(4-) having an unprecedented metal cage built of three condensed trigonal prisms
2. Mixed Co-Rh nitrido-encapsulated carbonyl clusters. Synthesis, solid-state structure, and electrochemical/EPR characterization of the anions Co10Rh(N)(2)(CO)(21)(3-), Co10Rh2(N)(2)(CO)(24)(2-), and Co11Rh(N)(2)(CO)(24)(2-) [J] . Costa M, Della Pergola R, Fumagalli ALaschi FLosi SMacchi PSironi AZanello P Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2007,第2期

机译：Mixed Co-Rh nitrido-encapsulated carbonyl clusters. Synthesis, solid-state structure, and electrochemical/EPR characterization of the anions Co10Rh(N)(2)(CO)(21)(3-), Co10Rh2(N)(2)(CO)(24)(2-), and Co11Rh(N)(2)(CO)(24)(2-)
3. Synthesis of the Stereoisomeric Clusters 1,2-Os-3(CO)(10)(trans-dpmn) and 1,2-Os-3(CO)(10)(cis-dpmn) where dpmn=2,3-bis(diphenylphosphinomethyl)-5-norbornene: DFT Evaluation of the Isomeric Clusters 1,2-Os-3(CO)(10)(dpmn) and Isomer-Dependent Diphosphine Ligand Activation [J] . Yang Li, Nesterov Vladimir N., Wang XiaopingRichmond Michael G. Journal of cluster science . 2015,第1期

机译：Synthesis of the Stereoisomeric Clusters 1,2-Os-3(CO)(10)(trans-dpmn) and 1,2-Os-3(CO)(10)(cis-dpmn) where dpmn=2,3-bis(diphenylphosphinomethyl)-5-norbornene: DFT Evaluation of the Isomeric Clusters 1,2-Os-3(CO)(10)(dpmn) and Isomer-Dependent Diphosphine Ligand Activation
4. Cluster Thomas-Ehrman Shift in ~(10)Be-~(10)C [C] . Makoto Ito International Conference on Nucleus-Nucleus Collisions . 2016

机译：Cluster Thomas-Ehrman Shift in〜（10）是 - 〜（10）c
5. Bioreduction of 3-nitro-10-methylbenzothiazolo[3,2-a]quinolinium salt plays an important role on its biological actions under hypoxia [D] . Colon Ferran, Iris Gisela 2008

机译：缺氧条件下3-硝基-10-甲基苯并噻唑并[3,2-a]喹啉鎓盐的生物还原起重要作用
6. Overexpression and oncogenic function of aldo-keto reductase family 1B10 (AKR1B10) in pancreatic carcinoma [O] . Yeon Tae Chung, Kristina A. Matkowskyj, Haonan Li, -1

机译：Aldo-keto还原酶Family1B10（AKR1B10）在胰腺癌中的过度表达和致癌功能
7. Overexpression and oncogenic function of aldo-keto reductase family 1B10 (AKR1B10) in pancreatic carcinoma [O] . Yeon Tae Chung, Kristina A Matkowskyj, Haonan Li, 2012

机译：Aldo-keto还原酶Family1B10（AKR1B10）在胰腺癌中的过度表达和致癌功能
8. Structures of Metallocarboranes. IX. Crystal and Molecular Structure of the Ten-Vertex Heterobimetallocarborane 2, 3-Di-eta-cyclopentadienyl-10-carba-(2,3)-(Nickelacobalta)- decaborane(8), 2,3-(n-C5H5)2-(2,3)-NiCo-10-CB7H8. [R] . Hardy, G. E., Callahan, K. P., Hawthorne, M. F. 1978

机译：金属碳硼烷的结构。 IX。十 - 十二碳杂双羰基硼烷的结晶和分子结构2,3-二-E-环戊二烯基-10-碳 - （2,3） - （Nickelacobalta） - 十硼烷（8），2,3-（n-C5H5）2- （2,3）-NiCo -10- CB7H8。

Structural trends in ten-vertex endohedral clusters, M@E_(10) and the synthesis of a new member of the family, Fe@Sn_(10)~(3-)

摘要

著录项

相似文献

相关主题

期刊订阅