Log in

Relevant bibliographies by topics / Planar-tetracoordinate carbon / Journal articles

Journal articles on the topic 'Planar-tetracoordinate carbon'

To see the other types of publications on this topic, follow the link: Planar-tetracoordinate carbon.

Author: Grafiati

Published: 4 June 2021

Last updated: 28 January 2023

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Planar-tetracoordinate carbon.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

McGrath, Mark P., Leo Radom, and Henry F. Schaefer. "Bowlane: towards planar tetracoordinate carbon." Journal of Organic Chemistry 57, no. 18 (August 1992): 4847–50. http://dx.doi.org/10.1021/jo00044a018.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Röttger, Dirk, and Gerhard Erker. "Compounds Containing Planar-Tetracoordinate Carbon." Angewandte Chemie International Edition in English 36, no. 8 (May 2, 1997): 812–27. http://dx.doi.org/10.1002/anie.199708121.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Gribanova, Tatyana N., Ruslan M. Minyaev, and Vladimir I. Minkin. "Planar Tetracoordinate Carbon in Organoboron Compounds: ab initio Computational Study." Collection of Czechoslovak Chemical Communications 64, no. 11 (1999): 1780–89. http://dx.doi.org/10.1135/cccc19991780.

Full text

Abstract:

Ab initio MP2(full)/6-311++G** calculations revealed that 1,2-diboraspiro[2.2]pent-4-ene (11) and two of its isomers 14 and 15 possess stable structures with planar tetracoordinate carbon. These compounds and some of their derivatives, 21 and 22, can be regarded as the first computationally found organoboron compounds with the planar tetracoordinate carbon.

APA, Harvard, Vancouver, ISO, and other styles

4

Keese, Reinhart. "Carbon Flatland: Planar Tetracoordinate Carbon and Fenestranes." Chemical Reviews 106, no. 12 (December 2006): 4787–808. http://dx.doi.org/10.1021/cr050545h.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Cui, Zhong-hua, Maryel Contreras, Yi-hong Ding, and Gabriel Merino. "Planar Tetracoordinate Carbon versus Planar Tetracoordinate Boron: The Case of CB4and Its Cation." Journal of the American Chemical Society 133, no. 34 (August 31, 2011): 13228–31. http://dx.doi.org/10.1021/ja203682a.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Pancharatna, Pattath D., Miguel Angel Méndez-Rojas, Gabriel Merino, Alberto Vela, and Roald Hoffmann. "Planar Tetracoordinate Carbon in Extended Systems." Journal of the American Chemical Society 126, no. 46 (November 2004): 15309–15. http://dx.doi.org/10.1021/ja046405r.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Guo, Jiayi, Haoyu Chai, Qian Duan, Jieming Qin, Xiande Shen, Dayong Jiang, Jianhua Hou, et al. "Planar tetracoordinate carbon species CLi3E with 12-valence-electrons." Physical Chemistry Chemical Physics 18, no. 6 (2016): 4589–93. http://dx.doi.org/10.1039/c5cp06081h.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Fan, Dong, Shaohua Lu, Yundong Guo, and Xiaojun Hu. "Novel bonding patterns and optoelectronic properties of the two-dimensional SixCymonolayers." Journal of Materials Chemistry C 5, no. 14 (2017): 3561–67. http://dx.doi.org/10.1039/c6tc05415c.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Yañez, O., A. Vásquez-Espinal, R. Pino-Rios, F. Ferraro, S. Pan, E. Osorio, G. Merino, and W. Tiznado. "Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons." Chemical Communications 53, no. 89 (2017): 12112–15. http://dx.doi.org/10.1039/c7cc06248f.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Zhang, Congjie, Wenxiu Sun, and Zexing Cao. "Zigzag Boron−Carbon Nanotubes with Quasi-planar Tetracoordinate Carbons." Journal of the American Chemical Society 130, no. 17 (April 2008): 5638–39. http://dx.doi.org/10.1021/ja800540x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

11

Wang, Zhi-Xiang, Cheng-Gen Zhang, Zhongfang Chen, and Paul von Ragué Schleyer. "Planar Tetracoordinate Carbon Species Involving Beryllium Substituents." Inorganic Chemistry 47, no. 4 (February 2008): 1332–36. http://dx.doi.org/10.1021/ic7017709.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Merino, Gabriel, Miguel A. Méndez-Rojas, Alberto Vela, and Thomas Heine. "Recent advances in planar tetracoordinate carbon chemistry." Journal of Computational Chemistry 28, no. 1 (2006): 362–72. http://dx.doi.org/10.1002/jcc.20515.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Jing-Xia, LIANG, JIA Wen-Hong, ZHANG Cong-Jie, and CAO Ze-Xing. "Unusual Boron-Carbon Compounds Containing Planar Tetracoordinate and Pentacoordinate Carbons." Acta Physico-Chimica Sinica 25, no. 09 (2009): 1847–52. http://dx.doi.org/10.3866/pku.whxb20090912.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Guo, Jin-Chang, Lin-Yan Feng, and Hua-Jin Zhai. "Planar tetracoordinate carbon molecules with 14 valence electrons: examples of CBe4Mnn−2 (M = Li, Au; n = 1–3) clusters." New Journal of Chemistry 44, no. 42 (2020): 18293–302. http://dx.doi.org/10.1039/d0nj03944f.

Full text

APA, Harvard, Vancouver, ISO, and other styles

15

Guo, Jin-Chang, Lin-Yan Feng, and Hua-Jin Zhai. "Ternary CBe4Au4 cluster: a 16-electron system with quasi-planar tetracoordinate carbon." Physical Chemistry Chemical Physics 20, no. 9 (2018): 6299–306. http://dx.doi.org/10.1039/c7cp08420j.

Full text

Abstract:

A ternary CBe₄Au₄ cluster contains quasi-planar tetracoordinate carbon (quasi-ptC). It adds the new 16-electron counting to ptC complexes, featuring 2π and 6σ double aromaticity.

APA, Harvard, Vancouver, ISO, and other styles

16

Li, Yafei, Yunlong Liao, Paul von Ragué Schleyer, and Zhongfang Chen. "Al2C monolayer: the planar tetracoordinate carbon global minimum." Nanoscale 6, no. 18 (July 3, 2014): 10784. http://dx.doi.org/10.1039/c4nr01972e.

Full text

APA, Harvard, Vancouver, ISO, and other styles

17

Watts, John D., and Stamper G. John. "On the computational realization of planar tetracoordinate carbon." Tetrahedron 43, no. 5 (January 1987): 1019–26. http://dx.doi.org/10.1016/s0040-4020(01)90040-7.

Full text

APA, Harvard, Vancouver, ISO, and other styles

18

Firme, Caio L., Narciso B. P. Barreiro, Pierre M. Esteves, and Rodrigo J. Corrêa. "Understanding the Planar Tetracoordinate Carbon Atom: Spiropentadiene Dication." Journal of Physical Chemistry A 112, no. 4 (January 2008): 686–92. http://dx.doi.org/10.1021/jp074895e.

Full text

APA, Harvard, Vancouver, ISO, and other styles

19

Priyakumar, U. Deva, A. Srinivas Reddy, and G. Narahari Sastry. "The design of molecules containing planar tetracoordinate carbon." Tetrahedron Letters 45, no. 12 (March 2004): 2495–98. http://dx.doi.org/10.1016/j.tetlet.2004.02.017.

Full text

APA, Harvard, Vancouver, ISO, and other styles

20

Minyaev, Ruslan M., Tatyana N. Gribanova, Vladimir I. Minkin, Andrey G. Starikov, and Roald Hoffmann. "Planar and Pyramidal Tetracoordinate Carbon in Organoboron Compounds." Journal of Organic Chemistry 70, no. 17 (August 2005): 6693–704. http://dx.doi.org/10.1021/jo050651j.

Full text

APA, Harvard, Vancouver, ISO, and other styles

21

Yañez, Osvaldo, Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Franklin Ferraro, Sudip Pan, Edison Osorio, Gabriel Merino, and William Tiznado. "Reply to the ‘Comment on “Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons”’ by V. S. Thimmakondu, Chem. Commun., 2019, DOI: 10.1039/c9cc04639a." Chemical Communications 55, no. 84 (2019): 12721–22. http://dx.doi.org/10.1039/c9cc06470b.

Full text

Abstract:

The authors respond to the Comment by Thimmakondu, showing that the effectiveness of their approach to stabilize a planar tetracoordinate (ptC) carbon in cyclic aromatic hydrocarbons is unquestionable, since their results are reproducible and reliable.

APA, Harvard, Vancouver, ISO, and other styles

22

Guo, Jin-Chang, Lin-Yan Feng, Chuan Dong, and Hua-Jin Zhai. "Ternary 12-electron CBe3X3+ (X = H, Li, Na, Cu, Ag) clusters: planar tetracoordinate carbons and superalkali cations." Physical Chemistry Chemical Physics 21, no. 39 (2019): 22048–56. http://dx.doi.org/10.1039/c9cp04437j.

Full text

Abstract:

Ternary 12-electron CBe₃X₃⁺ (X = H/Li/Na/Cu/Ag) clusters possess a planar tetracoordinate carbon. They feature 2π/6σ double aromaticity and can be classified as superalkali cations.

APA, Harvard, Vancouver, ISO, and other styles

23

Lewars, Errol. "Another possible planar tetracoordinate carbon saturated hydrocarbon, a computational study." Canadian Journal of Chemistry 97, no. 2 (February 2019): 154–61. http://dx.doi.org/10.1139/cjc-2018-0315.

Full text

Abstract:

Building on earlier computational work by Radom and Rasmussen, the author found a smaller candidate (C17H16) for a hydrocarbon with a planar tetracoordinate carbon atom than the candidate (C23H24) that had been reported by those workers. This molecule is apparently very unstable but nevertheless significant because it may be the smallest neutral hydrocarbon with such a carbon atom and its smaller size makes it easier to study at high computational levels.

APA, Harvard, Vancouver, ISO, and other styles

24

Yadav, Komal, Upakarasamy Lourderaj, and U. Deva Priyakumar. "Stereomutation in Tetracoordinate Centers via Stabilization of Planar Tetracoordinated Systems." Atoms 9, no. 4 (October 14, 2021): 79. http://dx.doi.org/10.3390/atoms9040079.

Full text

Abstract:

The quest for stabilizing planar forms of tetracoordinate carbon started five decades ago and intends to achieve interconversion between [R]- and [S]-stereoisomers without breaking covalent bonds. Several strategies are successful in making the planar tetracoordinate form a minimum on its potential energy surface. However, the first examples of systems where stereomutation is possible were reported only recently. In this study, the possibility of neutral and dications of simple hydrocarbons (cyclopentane, cyclopentene, spiropentane, and spiropentadiene) and their counterparts with the central carbon atom replaced by elements from groups 13, 14, and 15 are explored using ab initio MP2 calculations. The energy difference between the tetrahedral and planar forms decreases from row II to row III or IV substituents. Additionally, aromaticity involving the delocalization of the lone pair on the central atom appears to help in further stabilizing the planar form compared to the tetrahedral form, especially for the row II substituents. We identified 11 systems where the tetrahedral state is a minimum on the potential energy surface, and the planar form is a transition state corresponding to stereomutation. Interestingly, the planar structures of three systems were found to be minimum, and the corresponding tetrahedral states were transition states. The energy profiles corresponding to such transitions involving both planar and tetrahedral states without the breaking of covalent bonds were examined. The systems showcased in this study and research in this direction are expected to realize molecules that experimentally exhibit stereomutation.

APA, Harvard, Vancouver, ISO, and other styles

25

Job, Nisha, Maya Khatun, Krishnan Thirumoorthy, Sasanka Sankhar Reddy CH, Vijayanand Chandrasekaran, Anakuthil Anoop, and Venkatesan S. Thimmakondu. "CAl4Mg0/−: Global Minima with a Planar Tetracoordinate Carbon Atom." Atoms 9, no. 2 (April 9, 2021): 24. http://dx.doi.org/10.3390/atoms9020024.

Full text

Abstract:

Isomers of CAl4Mg and CAl4Mg− have been theoretically characterized for the first time. The most stable isomer for both the neutral and anion contain a planar tetracoordinate carbon (ptC) atom. Unlike the isovalent CAl4Be case, which contains a planar pentacoordinate carbon atom as the global minimum geometry, replacing beryllium with magnesium makes the ptC isomer the global minimum due to increased ionic radii of magnesium. However, it is relatively easier to conduct experimental studies for CAl4Mg0/− as beryllium is toxic. While the neutral molecule containing the ptC atom follows the 18 valence electron rule, the anion breaks the rule with 19 valence electrons. The electron affinity of CAl4Mg is in the range of 1.96–2.05 eV. Both the global minima exhibit π/σ double aromaticity. Ab initio molecular dynamics simulations were carried out for both the global minima at 298 K for 10 ps to confirm their kinetic stability.

APA, Harvard, Vancouver, ISO, and other styles

26

Wang, Lai-Sheng, Alexander I. Boldyrev, Xi Li, and Jack Simons. "Experimental Observation of Pentaatomic Tetracoordinate Planar Carbon-Containing Molecules." Journal of the American Chemical Society 122, no. 32 (August 2000): 7681–87. http://dx.doi.org/10.1021/ja993081b.

Full text

APA, Harvard, Vancouver, ISO, and other styles

27

Wu, Menghao, Yong Pei, and Xiao Cheng Zeng. "Planar Tetracoordinate Carbon Strips in Edge Decorated Graphene Nanoribbon." Journal of the American Chemical Society 132, no. 16 (April 28, 2010): 5554–55. http://dx.doi.org/10.1021/ja1002026.

Full text

APA, Harvard, Vancouver, ISO, and other styles

28

Albrecht, Markus, Gerhard Erker, and Carl Krüger. "The Synthesis of Stable, Isolable Planar-Tetracoordinate Carbon Compounds." Synlett 1993, no. 07 (1993): 441–48. http://dx.doi.org/10.1055/s-1993-22488.

Full text

APA, Harvard, Vancouver, ISO, and other styles

29

Castro, Abril Carolina, Martha Audiffred, Jose M. Mercero, Jesus M. Ugalde, Miguel A. Méndez-Rojas, and Gabriel Merino. "Planar tetracoordinate carbon in CE42− (E=Al–Tl) clusters." Chemical Physics Letters 519-520 (January 2012): 29–33. http://dx.doi.org/10.1016/j.cplett.2011.11.030.

Full text

APA, Harvard, Vancouver, ISO, and other styles

30

Yang, Li-ming, Xiao-ping Li, Yi-hong Ding, and Chia-chung Sun. "CSi2Ga2: a neutral planar tetracoordinate carbon (ptC) building block." Journal of Molecular Modeling 15, no. 1 (November 5, 2008): 97–104. http://dx.doi.org/10.1007/s00894-008-0362-4.

Full text

APA, Harvard, Vancouver, ISO, and other styles

31

Saumya, M. J., D. R. Sherin, K. R. Raghi, and T. K. Manojkumar. "Design of Novel Planar Tetracoordinate Carbon Molecules Containing Lithium." Journal of Chemistry and Chemical Sciences 7, no. 12 (December 30, 2017): 1129–34. http://dx.doi.org/10.29055/jccs/519.

Full text

APA, Harvard, Vancouver, ISO, and other styles

32

Minyaev, R. M., V. E. Avakyan, A. G. Starikov, T. N. Gribanova, and V. I. Minkin. "Extended organoboron structures containing several planar tetracoordinate carbon atoms." Doklady Chemistry 419, no. 2 (April 2008): 101–7. http://dx.doi.org/10.1134/s001250080804006x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Sahin, Yüksel, Michael Hartmann, Gertraud Geiseler, Dieter Schweikart, Christian Balzereit, Gernot Frenking, Werner Massa, and Armin Berndt. "Nonorthogonal Dilithium-1,3-biborataallenes Containing Planar-Tetracoordinate Carbon Atoms." Angewandte Chemie International Edition 40, no. 14 (July 16, 2001): 2662–65. http://dx.doi.org/10.1002/1521-3773(20010716)40:14<2662::aid-anie2662>3.0.co;2-v.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Siebert, Walter, and Anuradha Gunale. "Compounds containing a planar-tetracoordinate carbon atom as analogues of planar methane." Chemical Society Reviews 28, no. 6 (1999): 367–71. http://dx.doi.org/10.1039/a801225c.

Full text

APA, Harvard, Vancouver, ISO, and other styles

35

Malhan, Abdul Hamid, Sony Sobinson, Nisha Job, Shilpa Shajan, Surya Prakash Mohanty, Venkatesan S. Thimmakondu, and Krishnan Thirumoorthy. "Al2C4H2 Isomers with the Planar Tetracoordinate Carbon (ptC)/Aluminum (ptAl)." Atoms 10, no. 4 (October 11, 2022): 112. http://dx.doi.org/10.3390/atoms10040112.

Full text

Abstract:

Forty-one isomers of Al2C4H2 that lie within 50 kcal mol−1 are theoretically identified in this work using density functional theory. Among these, isomers 3 and 14 contain a planar tetracoordinate carbon (ptC) atom that lies at 3.3 and 16.9 kcal mol−1, respectively, and are above the global minimum geometry 1 at the ωB97XD/6-311++G(2d,2p) level of theory. The other ten isomers that also contain unique bonding features are isomers 4, 18, 20, 21, 22, 27, 28, 31, 34, and 40. Out of these isomers, 4, 18, 20, 22, 27, 28, and 34 contain planar tetracoordinate aluminum (ptAl) whereas isomers 31 and 40 contain both ptC and ptAl atoms. Chemical bonding characteristic features are thoroughly analyzed for all these eleven isomers with various bonding and topological quantum chemical tools, such as NBO, AdNDP, WBI, and ELF, except isomer 27 due to the observed elongated Al-Al bond length. The current results indicate that ptC isomer 3 is more stable than other isomers because electron delocalization is more prevalent and it also has double aromaticity as observed from the ELF, NICS, and AdNDP analysis. Further, the structural stability of these isomers is investigated through ab initio molecular dynamics (AIMD) simulation. Isomer 21 shows the planar pentacoordinate aluminum but it is observed as a kinetically unstable geometry from AIMD and, further, one could notice that it isomerizes to isomer 12.

APA, Harvard, Vancouver, ISO, and other styles

36

Leyva-Parra, Luis, Diego Inostroza, Osvaldo Yañez, Julio César Cruz, Jorge Garza, Víctor García, and William Tiznado. "Persistent Planar Tetracoordinate Carbon in Global Minima Structures of Silicon-Carbon Clusters." Atoms 10, no. 1 (February 28, 2022): 27. http://dx.doi.org/10.3390/atoms10010027.

Full text

Abstract:

Recently, we reported a series of global minima whose structures consist of carbon rings decorated with heavier group 14 elements. Interestingly, these structures feature planar tetracoordinate carbons (ptCs) and result from the replacement of five or six protons (H+) from the cyclopentadienyl anion (C5H5−) or the pentalene dianion (C8H62−) by three or four E2+ dications (E = Si–Pb), respectively. The silicon derivatives of these series are the Si3C5 and Si4C8 clusters. Here we show that ptC persists in some clusters with an equivalent number of C and Si atoms, i.e., Si5C5, Si8C8, and Si9C9. In all these species, the ptC is embedded in a pentagonal C5 ring and participates in a three-center, two-electron (3c-2e) Si-ptC-Si σ-bond. Furthermore, these clusters are π-aromatic species according to chemical bonding analysis and magnetic criteria.

APA, Harvard, Vancouver, ISO, and other styles

37

Merino, Gabriel, Miguel A. Méndez-Rojas, Hiram I. Beltrán, Clemence Corminboeuf, Thomas Heine, and Alberto Vela. "Theoretical Analysis of the Smallest Carbon Cluster Containing a Planar Tetracoordinate Carbon." Journal of the American Chemical Society 126, no. 49 (December 2004): 16160–69. http://dx.doi.org/10.1021/ja047848y.

Full text

APA, Harvard, Vancouver, ISO, and other styles

38

Crigger, Chad, Bernard K. Wittmaack, Marina Tawfik, Gabriel Merino, and Kelling J. Donald. "Plane and simple: planar tetracoordinate carbon centers in small molecules." Physical Chemistry Chemical Physics 14, no. 43 (2012): 14775. http://dx.doi.org/10.1039/c2cp41986f.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

Erker, Gerhard, Markus Albrecht, Carl Krueger, and Stefan Werner. ".sigma.-Hydrocarbyl-bridged gallium/zirconium complexes containing planar-tetracoordinate carbon." Journal of the American Chemical Society 114, no. 22 (October 1992): 8531–36. http://dx.doi.org/10.1021/ja00048a027.

Full text

APA, Harvard, Vancouver, ISO, and other styles

40

Adams, Chris J., Michael I. Bruce, Brian W. Skelton, and Allan H. White. "Planar tetracoordinate carbon—a novel environment in a pentaruthenium cluster." Chem. Commun., no. 8 (1996): 975–76. http://dx.doi.org/10.1039/cc9960000975.

Full text

APA, Harvard, Vancouver, ISO, and other styles

41

Sorger, Klas, and Paul von Ragué^Schleyer. "Planar and inherently non-tetrahedral tetracoordinate carbon: a status report *." Journal of Molecular Structure: THEOCHEM 338, no. 1-3 (August 1995): 317–46. http://dx.doi.org/10.1016/0166-1280(95)04233-v.

Full text

APA, Harvard, Vancouver, ISO, and other styles

42

Prakash, G. K. Surya, and Golam Rasul. "Cyclobutane dication, (CH2)4 2+: a model for a two-electron four-center (2e-4c) Woodward–Hoffmann frozen transition state." Beilstein Journal of Organic Chemistry 15 (July 3, 2019): 1475–79. http://dx.doi.org/10.3762/bjoc.15.148.

Full text

Abstract:

The structures of the elusive cyclobutane dication, (CH2)4 2+, were investigated at the MP2/cc-pVTZ and CCSD(T)/cc-pVTZ levels. Calculations show that the two-electron four-center (2e-4c) bonded structure 1 involving four carbon atoms is a minimum. The structure contains formally two tetracoordinate and two pentacoordinate carbons. The non-classical σ-delocalized structure can be considered as a prototype for a 2e-4c Woodward–Hoffmann frozen transition state. The planar rectangular shaped structure 2 with a 2e-4c bond was found not to be a minimum.

APA, Harvard, Vancouver, ISO, and other styles

43

Siebert, Walter, and Anuradha Gunale. "ChemInform Abstract: Compounds Containing a Planar-Tetracoordinate Carbon Atom as Analogues of Planar Methane." ChemInform 31, no. 6 (June 11, 2010): no. http://dx.doi.org/10.1002/chin.200006293.

Full text

APA, Harvard, Vancouver, ISO, and other styles

44

Das, Prasenjit, and Pratim Kumar Chattaraj. "Structure and Bonding in Planar Hypercoordinate Carbon Compounds." Chemistry 4, no. 4 (December 15, 2022): 1723–56. http://dx.doi.org/10.3390/chemistry4040113.

Full text

Abstract:

The term hypercoordination refers to the extent of the coordination of an element by its normal value. In the hypercoordination sphere, the element can achieve planar and/or non-planar molecular shape. Hence, planar hypercoordinate carbon species violate two structural rules: (i) The highest coordination number of carbon is four and (ii) the tetrahedral orientation by the connected elements and/or groups. The unusual planar orientations are mostly stabilized by the electronic interactions of the central atom with the surrounding ligands. In this review article, we will talk about the current progress in the theoretical prediction of viable planar hypercoordinate carbon compounds. Primary knowledge of the planar hypercoordinate chemistry will lead to its forthcoming expansion. Experimental and theoretical interests in planar tetracoordinate carbon (ptC), planar pentacoordinate carbon (ppC), and planar hexacoordinate carbon (phC) are continued. The proposed electronic and mechanical strategies are helpful for the designing of the ptC compounds. Moreover, the 18-valence electron rule can guide the design of new ptC clusters computationally as well as experimentally. However, the counting of 18-valence electrons is not a requisite condition to contain a ptC in a cluster. Furthermore, this ptC idea is expanded to the probability of a greater coordination number of carbon in planar orientations. Unfortunately, until now, there are no such logical approaches to designing ppC, phC, or higher-coordinate carbon molecules/ions. There exist a few global minimum structures of phC clusters identified computationally, but none have been detected experimentally. All planar hypercoordinate carbon species in the global minima may be feasible in the gas phase.

APA, Harvard, Vancouver, ISO, and other styles

45

Thirumoorthy, Krishnan, Vijayanand Chandrasekaran, Andrew L. Cooksy, and Venkatesan S. Thimmakondu. "Kinetic Stability of Si2C5H2 Isomer with a Planar Tetracoordinate Carbon Atom." Chemistry 3, no. 1 (December 31, 2020): 13–27. http://dx.doi.org/10.3390/chemistry3010002.

Full text

Abstract:

Dissociation pathways of the global minimum geometry of Si2C5H2 with a planar tetracoordinate carbon (ptC) atom, 2,7-disilatricyclo[4.1.0.01,3]hept-2,4,6-trien-2,7-diyl (1), have been theoretically investigated using density functional theory and coupled-cluster (CC) methods. Dissociation of Si-C bond connected to the ptC atom leads to the formation of 4,7-disilabicyclo[4.1.0]hept-1(6),4(5)-dien-2-yn-7-ylidene (4) through a single transition state. Dissociation of C-C bond connected to the ptC atom leads to an intermediate with two identical transition states and leads back to 1 itself. Simultaneous breaking of both Si-C and C-C bonds leads to an acyclic transition state, which forms an acyclic product, cis-1,7-disilahept-1,2,3,5,6-pentaen-1,7-diylidene (19). Overall, two different products, four transition states, and an intermediate have been identified at the B3LYP/6-311++G(2d,2p) level of theory. Intrinsic reaction coordinate calculations have also been done at the latter level to confirm the isomerization pathways. CC calculations have been done at the CCSD(T)/cc-pVTZ level of theory for all minima. Importantly, all reaction profiles for 1 are found be endothermic in Si2C5H2. These results are in stark contrast compared to the structurally similar and isovalent lowest-energy isomer of C7H2 with a ptC atom as the overall reaction profiles there have been found to be exothermic. The activation energies for Si-C, C-C, and Si-C/C-C breaking are found to be 30.51, 64.05, and 61.85 kcal mol−1, respectively. Thus, it is emphasized here that 1 is a kinetically stable molecule. However, it remains elusive in the laboratory to date. Therefore, energetic and spectroscopic parameters have been documented here, which may be of relevance to molecular spectroscopists in identifying this key anti-van’t-Hoff-Le Bel molecule.

APA, Harvard, Vancouver, ISO, and other styles

46

Erker, Gerhard. "Planar-Tetracoordinate Carbon: Making Stable Anti-van′t Hoff/LeBel Compounds." Comments on Inorganic Chemistry 13, no. 2 (January 1992): 111–31. http://dx.doi.org/10.1080/02603599208048461.

Full text

APA, Harvard, Vancouver, ISO, and other styles

47

Remya, Premaja R., and Cherumuttathu H. Suresh. "Planar tetracoordinate carbon in tungstenacyclobutadiene from alkyne metathesis and expanded structures." Dalton Transactions 45, no. 4 (2016): 1769–78. http://dx.doi.org/10.1039/c5dt03922c.

Full text

Abstract:

Establishing the C_β of tungstenacyclobutadiene (WCBD) as a _ptC center paves the way for a new strategy to make novel materials containing multiple _ptC centers. The 1-, 2- and 3-dimensional expansion of the WCBD motifs provides access to _ptC-incorporated new metal–organic frameworks.

APA, Harvard, Vancouver, ISO, and other styles

48

Li, Xi, Hua-Jin Zhai, and Lai-Sheng Wang. "Photoelectron spectroscopy of pentaatomic tetracoordinate planar carbon molecules: CAl3Si− and CAl3Ge−." Chemical Physics Letters 357, no. 5-6 (May 2002): 415–19. http://dx.doi.org/10.1016/s0009-2614(02)00488-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

49

Zhao, Hui, and Congjie Zhang. "Theoretical study of group 6 metallacyclic complexes with planar tetracoordinate carbon." Computational and Theoretical Chemistry 1055 (March 2015): 42–50. http://dx.doi.org/10.1016/j.comptc.2014.12.009.

Full text

APA, Harvard, Vancouver, ISO, and other styles

50

Thimmakondu, Venkatesan S., and Krishnan Thirumoorthy. "Si3C2H2 isomers with a planar tetracoordinate carbon or silicon atom(s)." Computational and Theoretical Chemistry 1157 (June 2019): 40–46. http://dx.doi.org/10.1016/j.comptc.2019.04.009.

Full text

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!