The Experts below are selected from a list of 954 Experts worldwide ranked by ideXlab platform
Makoto Yamashita - One of the best experts on this subject based on the ideXlab platform.
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rhombic Cyclobutadiene with a boryl amino substitution pattern boryl group migration induced by reaction with water
Organic Letters, 2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent.
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Rhombic Cyclobutadiene with a Boryl/Amino-Substitution Pattern: Boryl Group Migration Induced by Reaction with Water
2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent
Kaoru Onuma - One of the best experts on this subject based on the ideXlab platform.
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rhombic Cyclobutadiene with a boryl amino substitution pattern boryl group migration induced by reaction with water
Organic Letters, 2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent.
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Rhombic Cyclobutadiene with a Boryl/Amino-Substitution Pattern: Boryl Group Migration Induced by Reaction with Water
2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent
Mohammad A Khalilzadeh - One of the best experts on this subject based on the ideXlab platform.
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Product- – Supplemental material for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes
2019Co-Authors: Bita Mohtat, Seyyed Amir Siadati, Mohammad A KhalilzadehAbstract:Supplemental material, Product- for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes by Bita Mohtat, Seyyed Amir Siadati and Mohammad A Khalilzadeh in Progress in Reaction Kinetics and Mechanism
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INT_(A) – Supplemental material for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes
2019Co-Authors: Bita Mohtat, Seyyed Amir Siadati, Mohammad A KhalilzadehAbstract:Supplemental material, INT_(A) for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes by Bita Mohtat, Seyyed Amir Siadati and Mohammad A Khalilzadeh in Progress in Reaction Kinetics and Mechanism
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RC – Supplemental material for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes
2019Co-Authors: Bita Mohtat, Seyyed Amir Siadati, Mohammad A KhalilzadehAbstract:Supplemental material, RC for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes by Bita Mohtat, Seyyed Amir Siadati and Mohammad A Khalilzadeh in Progress in Reaction Kinetics and Mechanism
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INT_(C) – Supplemental material for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes
2019Co-Authors: Bita Mohtat, Seyyed Amir Siadati, Mohammad A KhalilzadehAbstract:Supplemental material, INT_(C) for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes by Bita Mohtat, Seyyed Amir Siadati and Mohammad A Khalilzadeh in Progress in Reaction Kinetics and Mechanism
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INT_(B) – Supplemental material for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes
2019Co-Authors: Bita Mohtat, Seyyed Amir Siadati, Mohammad A KhalilzadehAbstract:Supplemental material, INT_(B) for Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and Cyclobutadiene: Competition between the stepwise and concerted routes by Bita Mohtat, Seyyed Amir Siadati and Mohammad A Khalilzadeh in Progress in Reaction Kinetics and Mechanism
Prasanta K Nandi - One of the best experts on this subject based on the ideXlab platform.
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beryllium Cyclobutadiene multidecker inverse sandwiches electronic structure and second hyperpolarizability
Journal of Physical Chemistry A, 2013Co-Authors: Kaushik Hatua, Prasanta K NandiAbstract:Beryllium forms stable sandwich and inverse sandwich complexes with the Cyclobutadiene molecule. Two types of multidecker complexes are designed. Multidecker inverse sandwiches are found to be thermally more stable than the corresponding sandwich complexes. The average distance between two consecutive metals and the two consecutive Cyclobutadiene rings increase gradually on increasing size of the chosen inverse sandwich complexes. The density functional theory functionals B3LYP, BHHLYP, BLYP, M06, CAM-B3LYP, and B2PLYP in conjunction with the 6-311++G (d, p) basis set have been employed for calculating the third-order electric response properties of the chosen beryllium-Cyclobutadiene complexes and the results obtained for each functional are found to have a consistent trend. Compared to the normal sandwich compounds the second-hyperpolarizability of inverse sandwiches is predicated to be larger, which fairly correlates with the extent of ground-state polarization. The significant enhancement of cubic pol...
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Beryllium-Cyclobutadiene Multidecker Inverse Sandwiches: Electronic Structure and Second-Hyperpolarizability
2013Co-Authors: Kaushik Hatua, Prasanta K NandiAbstract:Beryllium forms stable sandwich and inverse sandwich complexes with the Cyclobutadiene molecule. Two types of multidecker complexes are designed. Multidecker inverse sandwiches are found to be thermally more stable than the corresponding sandwich complexes. The average distance between two consecutive metals and the two consecutive Cyclobutadiene rings increase gradually on increasing size of the chosen inverse sandwich complexes. The density functional theory functionals B3LYP, BHHLYP, BLYP, M06, CAM-B3LYP, and B2PLYP in conjunction with the 6-311++G (d, p) basis set have been employed for calculating the third-order electric response properties of the chosen beryllium-Cyclobutadiene complexes and the results obtained for each functional are found to have a consistent trend. Compared to the normal sandwich compounds the second-hyperpolarizability of inverse sandwiches is predicated to be larger, which fairly correlates with the extent of ground-state polarization. The significant enhancement of cubic polarizability of higher-order multidecker inverse sandwiches arises from the strong coupling between the ground and the low lying charge transfer excited states. The rather strong enhancement of second-hyperpolarizability on increasing size of the beryllium-multidecker inverse sandwiches may provide a new route to design efficient nonlinear optical materials
Katsunori Suzuki - One of the best experts on this subject based on the ideXlab platform.
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rhombic Cyclobutadiene with a boryl amino substitution pattern boryl group migration induced by reaction with water
Organic Letters, 2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent.
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Rhombic Cyclobutadiene with a Boryl/Amino-Substitution Pattern: Boryl Group Migration Induced by Reaction with Water
2015Co-Authors: Kaoru Onuma, Katsunori Suzuki, Makoto YamashitaAbstract:The synthesis of a donor–acceptor Cyclobutadiene featuring a boryl/amino-substitution pattern is presented together with its characteristic reactivity toward water. On the basis of the results of X-ray crystallography, theoretical studies, and spectroscopic analyses, the observed rhombic structure of the Cyclobutadiene was attributed to a charge-separated electronic structure. Reaction of this boryl-substituted Cyclobutadiene with water induced a characteristic migration of the boryl group, due to the Lewis acidity of the boryl-substituent
