0000000000793755

AUTHOR

Brian E. Chastain

showing 6 related works from this author

Diindenoanthracene Diradicaloids Enable Rational, Incremental Tuning of Their Singlet-Triplet Energy Gaps

2020

Summary A fundamental understanding of the inherent electronic and magnetic properties of open-shell diradicaloids is essential so that these properties can be modified to create molecules that meet the potential needs of industry. However, there have been very few attempts to date to systematically accomplish this in diradicaloid compounds. Here, we present the synthetic, spectroscopic, and computational investigation of a series of molecules based on the diindeno[1,2-b:1′,2′-g]anthracene framework. Calculations suggest that by altering the transfer integral term, tab, we are able to manipulate the diradical character and, thus, ΔEST within this series of molecules. Experimentally determin…

PhysicsSeries (mathematics)DiradicalMagnetometerGeneral Chemical EngineeringBiochemistry (medical)02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesBiochemistry0104 chemical scienceslaw.inventionSQUIDChemical physicslawMaterials ChemistryEnvironmental ChemistryMoleculeSinglet state0210 nano-technologyEnergy (signal processing)Chem
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CCDC 1949614: Experimental Crystal Structure Determination

2020

Related Article: Justin J. Dressler, Abel Cárdenas Valdivia, Ryohei Kishi, Gabriel E. Rudebusch, Austin M. Ventura, Brian E. Chastain, Carlos J. Gómez-García, Lev N. Zakharov, Masayoshi Nakano, Juan Casado, Michael M. Haley|2020|Cell Press: Chem|6|1353|doi:10.1016/j.chempr.2020.02.010

{[1020-bis(246-trimethylphenyl)bisbenzo[45]indeno[12-b:1'2'-i]anthracene-818-diyl]bis(ethyne-21-diyl)}bis[tri-isopropylsilane]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1949613: Experimental Crystal Structure Determination

2020

Related Article: Justin J. Dressler, Abel Cárdenas Valdivia, Ryohei Kishi, Gabriel E. Rudebusch, Austin M. Ventura, Brian E. Chastain, Carlos J. Gómez-García, Lev N. Zakharov, Masayoshi Nakano, Juan Casado, Michael M. Haley|2020|Cell Press: Chem|6|1353|doi:10.1016/j.chempr.2020.02.010

Space GroupCrystallography{[919-bis(246-trimethylphenyl)bisbenzo[56]indeno[12-b:1'2'-i]anthracene-717-diyl]bis(ethyne-21-diyl)}bis[tri-isopropylsilane]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1949611: Experimental Crystal Structure Determination

2020

Related Article: Justin J. Dressler, Abel Cárdenas Valdivia, Ryohei Kishi, Gabriel E. Rudebusch, Austin M. Ventura, Brian E. Chastain, Carlos J. Gómez-García, Lev N. Zakharov, Masayoshi Nakano, Juan Casado, Michael M. Haley|2020|Cell Press: Chem|6|1353|doi:10.1016/j.chempr.2020.02.010

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters614-bis{[tri-isopropylsilyl]ethynyl}di-indeno[12-b:1'2'-i]anthracene-816-dioneExperimental 3D Coordinates
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CCDC 1949612: Experimental Crystal Structure Determination

2020

Related Article: Justin J. Dressler, Abel Cárdenas Valdivia, Ryohei Kishi, Gabriel E. Rudebusch, Austin M. Ventura, Brian E. Chastain, Carlos J. Gómez-García, Lev N. Zakharov, Masayoshi Nakano, Juan Casado, Michael M. Haley|2020|Cell Press: Chem|6|1353|doi:10.1016/j.chempr.2020.02.010

Space GroupCrystallographyCrystal SystemCrystal Structure{[717-bis(246-trimethylphenyl)bisbenzo[67]indeno[12-b:1'2'-i]anthracene-919-diyl]bis(ethyne-21-diyl)}bis[tri-isopropylsilane] chloroform solvateCell ParametersExperimental 3D Coordinates
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CCDC 1964314: Experimental Crystal Structure Determination

2020

Related Article: Justin J. Dressler, Abel Cárdenas Valdivia, Ryohei Kishi, Gabriel E. Rudebusch, Austin M. Ventura, Brian E. Chastain, Carlos J. Gómez-García, Lev N. Zakharov, Masayoshi Nakano, Juan Casado, Michael M. Haley|2020|Cell Press: Chem|6|1353|doi:10.1016/j.chempr.2020.02.010

{[918-bis(246-trimethylphenyl)[1]benzothieno[2'''3''':3''4'']cyclopenta[1''2'':6'7']naphtho[2'3':56]indeno[12-b][1]benzothiene-716-diyl]bis(ethyne-21-diyl)}bis[tri-isopropylsilane] chloroform solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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