The Experts below are selected from a list of 228 Experts worldwide ranked by ideXlab platform
Jun Zhu - One of the best experts on this subject based on the ideXlab platform.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
Organometallics, 2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics
Qiong Xie - One of the best experts on this subject based on the ideXlab platform.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
Organometallics, 2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics
Zhenfeng Xi - One of the best experts on this subject based on the ideXlab platform.
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1 2 3 4 tetrasubstituted Cyclopentadienes and their applications for metallocenes efficient synthesis through zirconocene and cucl mediated intermolecular coupling of two alkynes and one diiodomethane
Chemistry: A European Journal, 2013Co-Authors: Weizhi Geng, Chao Wang, Jie Guang, Wenxiong Zhang, Zhenfeng XiAbstract:: 1,2,3,4-Tetrasubstituted Cyclopentadienes and indene derivatives with identical or different substituents were obtained in good to excellent isolated yields through a zirconocene- and CuCl-mediated intermolecular coupling process. This synthetic procedure involved three organic partners, including one CH2 I2 , and two different or identical alkynes. Two alkynes or one diyne undergo Cp2Zr(II)-mediated (Cp = η(5)-C5H5) pair-selective reductive coupling to afford the corresponding zirconaCyclopentadiene derivatives, which react, in the presence of CuCl and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1 H)-pyrimidinone (DMPU), with CH2I2 through intermolecular followed by intramolecular coupling to afford the Cyclopentadiene derivatives. An application of the prepared tetrasubstituted Cyclopentadiene derivatives was demonstrated by the facile synthesis of the corresponding zirconocene complexes [((4R)Cp)2ZrCl2] and [((4R)Cp)2ZrR'2] (R' = Me, Et, or nBu). The unique 1,2,3,4-tetrasubstituted Cyclopentadiene ligands and the corresponding metallocenes are expected to have further applications in organometallic chemistry and organic synthesis.
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1,2,3,4‐Tetrasubstituted Cyclopentadienes and Their Applications for Metallocenes: Efficient Synthesis through Zirconocene‐ and CuCl‐Mediated Intermolecular Coupling of Two Alkynes and One Diiodomethane
Chemistry: A European Journal, 2013Co-Authors: Weizhi Geng, Chao Wang, Jie Guang, Wenxiong Zhang, Zhenfeng XiAbstract:: 1,2,3,4-Tetrasubstituted Cyclopentadienes and indene derivatives with identical or different substituents were obtained in good to excellent isolated yields through a zirconocene- and CuCl-mediated intermolecular coupling process. This synthetic procedure involved three organic partners, including one CH2 I2 , and two different or identical alkynes. Two alkynes or one diyne undergo Cp2Zr(II)-mediated (Cp = η(5)-C5H5) pair-selective reductive coupling to afford the corresponding zirconaCyclopentadiene derivatives, which react, in the presence of CuCl and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1 H)-pyrimidinone (DMPU), with CH2I2 through intermolecular followed by intramolecular coupling to afford the Cyclopentadiene derivatives. An application of the prepared tetrasubstituted Cyclopentadiene derivatives was demonstrated by the facile synthesis of the corresponding zirconocene complexes [((4R)Cp)2ZrCl2] and [((4R)Cp)2ZrR'2] (R' = Me, Et, or nBu). The unique 1,2,3,4-tetrasubstituted Cyclopentadiene ligands and the corresponding metallocenes are expected to have further applications in organometallic chemistry and organic synthesis.
Wenxiong Zhang - One of the best experts on this subject based on the ideXlab platform.
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alkaline earth metallocenes coordinated with ester pendants synthesis structural characterization and application in metathesis reactions
Chemistry: A European Journal, 2013Co-Authors: Wenxiong ZhangAbstract:A variety of ester-substituted Cyclopentadiene derivatives have been synthesized by one-pot reactions of 1,4-dilithio-1,3-butadienes, CO, and acid chlorides. Direct deprotonation of the ester-substituted Cyclopentadienes with Ae[N(SiMe3 )2 ]2 (Ae=Ca, Sr, Ba) efficiently generated members of a new class of heavier alkaline earth (Ca, Sr, Ba) metallocenes in good to excellent yields. Single-crystal X-ray structural analysis demonstrated that these heavier alkaline earth metallocenes incorporated two intramolecularly coordinated ester pendants and multiply-substituted cyclopentadienyl ligands. The corresponding transition metal metallocenes, such as ferrocene derivatives and half-sandwich cyclopentadienyl tricarbonylrhenium complexes, could be generated highly efficiently by metathesis reactions. The multiply-substituted Cyclopentadiene ligands bearing an ester pendant, and the corresponding heavier alkaline earth and transition-metal metallocenes, may have further applications in coordination chemistry, organometallic chemistry, and organic synthesis.
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1 2 3 4 tetrasubstituted Cyclopentadienes and their applications for metallocenes efficient synthesis through zirconocene and cucl mediated intermolecular coupling of two alkynes and one diiodomethane
Chemistry: A European Journal, 2013Co-Authors: Weizhi Geng, Chao Wang, Jie Guang, Wenxiong Zhang, Zhenfeng XiAbstract:: 1,2,3,4-Tetrasubstituted Cyclopentadienes and indene derivatives with identical or different substituents were obtained in good to excellent isolated yields through a zirconocene- and CuCl-mediated intermolecular coupling process. This synthetic procedure involved three organic partners, including one CH2 I2 , and two different or identical alkynes. Two alkynes or one diyne undergo Cp2Zr(II)-mediated (Cp = η(5)-C5H5) pair-selective reductive coupling to afford the corresponding zirconaCyclopentadiene derivatives, which react, in the presence of CuCl and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1 H)-pyrimidinone (DMPU), with CH2I2 through intermolecular followed by intramolecular coupling to afford the Cyclopentadiene derivatives. An application of the prepared tetrasubstituted Cyclopentadiene derivatives was demonstrated by the facile synthesis of the corresponding zirconocene complexes [((4R)Cp)2ZrCl2] and [((4R)Cp)2ZrR'2] (R' = Me, Et, or nBu). The unique 1,2,3,4-tetrasubstituted Cyclopentadiene ligands and the corresponding metallocenes are expected to have further applications in organometallic chemistry and organic synthesis.
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1,2,3,4‐Tetrasubstituted Cyclopentadienes and Their Applications for Metallocenes: Efficient Synthesis through Zirconocene‐ and CuCl‐Mediated Intermolecular Coupling of Two Alkynes and One Diiodomethane
Chemistry: A European Journal, 2013Co-Authors: Weizhi Geng, Chao Wang, Jie Guang, Wenxiong Zhang, Zhenfeng XiAbstract:: 1,2,3,4-Tetrasubstituted Cyclopentadienes and indene derivatives with identical or different substituents were obtained in good to excellent isolated yields through a zirconocene- and CuCl-mediated intermolecular coupling process. This synthetic procedure involved three organic partners, including one CH2 I2 , and two different or identical alkynes. Two alkynes or one diyne undergo Cp2Zr(II)-mediated (Cp = η(5)-C5H5) pair-selective reductive coupling to afford the corresponding zirconaCyclopentadiene derivatives, which react, in the presence of CuCl and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1 H)-pyrimidinone (DMPU), with CH2I2 through intermolecular followed by intramolecular coupling to afford the Cyclopentadiene derivatives. An application of the prepared tetrasubstituted Cyclopentadiene derivatives was demonstrated by the facile synthesis of the corresponding zirconocene complexes [((4R)Cp)2ZrCl2] and [((4R)Cp)2ZrR'2] (R' = Me, Et, or nBu). The unique 1,2,3,4-tetrasubstituted Cyclopentadiene ligands and the corresponding metallocenes are expected to have further applications in organometallic chemistry and organic synthesis.
Tingting Sun - One of the best experts on this subject based on the ideXlab platform.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
Organometallics, 2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics.
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Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
2018Co-Authors: Qiong Xie, Tingting Sun, Jun ZhuAbstract:Hyperconjugation, an interaction of electrons in a σ orbital or lone pair with an adjacent π or even σ antibonding orbital, can have a strong effect on aromaticity. However, most work on hyperconjugative aromaticity has been limited to main-group substituents. Here, we report a thorough density functional theory study to evaluate the aromaticity in various Cyclopentadienes that contain both main-group and transition-metal substituents. Our calculations reveal that the strongest aromatic Cyclopentadiene ring can be achieved by the synergy of trans influence and hyperconjugation caused by transition-metal substituents. Our findings highlight the great power of transition metals and trans influence in achieving hyperconjugative aromaticity, opening an avenue to the design of other novel aromatic organometallics
