Search Results - "Nelsen, Stephen F."

Ab Initio Calculations on the Intramolecular Electron Transfer Rates of a Bis(hydrazine) Radical Cation by Zhang, Weiwei, Zhu, Wenjuan, Liang, WanZhen, Zhao, Yi, Nelsen, Stephen F

“…Electron transfer (ET) rates of a charge localized (Class II) intervalence radical cation of a bis(hydrazine) are investigated theoretically. First, the…”
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Estimation of Electronic Coupling for Intermolecular Electron Transfer from Cross-Reaction Data by Nelsen, Stephen F, Weaver, Michael N, Luo, Yun, Pladziewicz, Jack R, Ausman, Logan K, Jentzsch, Teresa L, O'Konek, Jessica J

“…Sixty-five electron-transfer reactions including 27 new 0, +1 couples have been added to our data set of cross-reactions between 0 and +1 couples, bringing it…”
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Electron Transfer within Charge-Localized Dinitroaromatic Radical Anions by Telo, João P, Nelsen, Stephen F, Zhao, Yi

“…Rate constants for the intramolecular electron-transfer reaction in the 2,7-dinitronaphthalene (2 − ), 4,4′-dinitrotolane (3 − ), and…”
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Solvent Control of Charge Localization in 11-Bond Bridged Dinitroaromatic Radical Anions by Nelsen, Stephen F, Weaver, Michael N, Telo, João P

“…The optical spectra of 4,4‘-dinitrostilbene (1 - ) and 4,4‘-dinitrotolane (2 - ) radical anions show the narrow band widths and partially resolved vibrational…”
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Interpretation of Mixed-Valence Compound Optical Spectra Near the Class II/III Border: Dinitrobiphenyl and Dinitrophenanthrene Radical Anions by Nelsen, Stephen F, Schultz, Kevin P, Telo, João P

“…The optical spectra of 4,4′-dinitrobiphenyl and other similar 9-bond bridged radical anions show that these mixed-valence compounds are predominantly…”
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Optical Spectra of Delocalized Dinitroaromatic Radical Anions Revisited by Nelsen, Stephen F, Weaver, Michael N, Zink, Jeffrey I, Telo, João P

“…The optical spectra of nine dinitroaromatic radical anions (1,2- and 1,4-dinitrobenzene, 1,5- and 2,6-dinitro naphthalene, 4,4‘-dinitrobiphenyl,…”
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Solvent Effects on the Coexistence of Localized and Delocalized 4,4′-Dinitrotolane Radical Anion by Resonance Raman Spectroscopy by Hoekstra, Ryan M, Telo, João P, Wu, Qin, Stephenson, Rachel M, Nelsen, Stephen F, Zink, Jeffrey I

“…The resonance Raman spectrum of the simple alkyne bridge in 4,4′-dinitrotolane radical anion shows two distinct bands, providing proof of the solvent-dependent…”
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Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations by Jalilov, Almaz S, Li, Gaoquan, Nelsen, Stephen F, Guzei, Ilia A, Wu, Qin

“…X-ray crystallographic structures are reported for 1(Me) 2+ (SbCl6 −)2·2CH3CN, 2(Et) 2+ (SbF6 −)2·2CH3CN·2CH2Cl2, and 1(iPr) 2+ (SbF6 −)2, which also contained…”
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EPR and ENDOR Studies of Dimeric Paracyclophane Radical Cations and Dications Containing Tri- and Pentamethylene-Bridged p-Phenylene Diamine Units by Rosspeintner, Arnulf, Griesser, Markus, Matsumoto, Isao, Teki, Yoshio, Li, Gaoquan, Nelsen, Stephen F, Gescheidt, Georg

“…Solution EPR and ENDOR studies on the radical cations of three dimeric p-phenylene diamine (PD)-based compounds, the tetraisopropyl-substituted…”
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Calculations of the Optical Spectra of Hydrocarbon Radical Cations Based on Koopmans' Theorem by Nelsen, Stephen F, Weaver, Michael N, Yamazaki, Daisuke, Komatsu, Koichi, Rathore, Rajendra, Bally, Thomas

“…The first few bands in the optical spectra of radical cations can often be interpreted in terms of A-type transitions that involve electron promotions from…”
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Intervalence Near-IR Spectra of Delocalized Dinitroaromatic Radical Anions by Nelsen, Stephen F, Konradsson, Asgeir E, Weaver, Michael N, Telo, João P

“…The Class III (delocalized) intervalence radical anions of 1,4-dinitrobenzene, 2,6-dinitronaphthalene, 2,6-dinitroanthracene, 9,9-dimethyl-2,7-dinitrofluorene,…”
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Resonance Raman spectroscopic study of solvent-dependent coexistence of localized and delocalized dinitroaromatic radical anions by Hoekstra, Ryan M, Chen, Yen-Ting, Kiesz, Matthew D, Telo, Joao P, Stephenson, Rachel M, Nelsen, Stephen F, Zink, Jeffrey I

“…Optical absorption spectra of three dinitroaromatic radical anions, 2,7-dinitro-9,9-dimethylfluorene ( 1 •− ), 4,4′-dinitrobiphenyl ( 2 •− ), and…”
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Tuning Aryl, Hydrazine Radical Cation Electronic Interactions Using Substitutent Effects by Valverde-Aguilar, Guadalupe, Wang, Xianghuai, Plummer, Edward, Lockard, Jenny V, Zink, Jeffrey I, Luo, Yun, Weaver, Michael N, Nelsen, Stephen F

“…Absorption spectra for 2,3-diaryl-2,3-diazabicyclo[2.2.2]octane radical cations (2(X) •+ ) and for their monoaryl analogues…”
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Mixed Valence Compounds as Probes to Determine the Polarity of 1-Butyl-3-methylimadazolium Ionic Liquids by Ferrer, Belen, Garcia, Hermenegildo, Schultz, Kevin P

“…Radical cations and dications of three bishydrazines belonging to the Class II mixed valence compounds have been generated, either spontaneously or by…”
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Optical Spectra of Protected Diamine 10-Bond-Bridged Intervalence Radical Cations Related to N,N,N‘N‘-Tetraalkylbenzidine by Nelsen, Stephen F, Luo, Yun, Weaver, Michael N, Lockard, Jenny V, Zink, Jeffrey I

“…The optical absorption spectra of the delocalized intervalence radical cations of seven o,o‘-linked benzidine derivatives that have the nitrogens protected as…”
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Estimation of Electron Transfer Distances from AM1 Calculations by Nelsen, Stephen F, Newton, Marshall D

“…We examine a simple approximate method for calculating the electron transfer (ET) distance suitable for extracting the off-diagonal electronic coupling element…”
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Charge Localization in a 17-Bond Mixed-Valence Quinone Radical Anion by Nelsen, Stephen F., Weaver, Michael N., Telo, João P.

“…Optical spectra in dimethylformamide are reported for the radical anions of benzoquinone, its tetramethyl and tetrachloro analogues, and tetra-ortho-alkyl…”
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Three-Chromophore Excited-State Mixed Valence by Hoekstra, Ryan M, Dibrell, Marcelle M, Weaver, Michael N, Nelsen, Stephen F, Zink, Jeffrey I

“…The lowest energy optical electronic absorption band of the three-chromophore system tris(4-bromophenyl)amine radical cation is analyzed. The lowest energy…”
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Koopmans-Based Analysis of the Optical Spectra of p-Phenylene-Bridged Intervalence Radical Ions by Nelsen, Stephen F, Weaver, Michael N, Telo, João P, Lucht, Brett L, Barlow, Stephen

“…The optical spectra of 10 p-phenylene-bridged delocalized intervalence compounds MC 6 H 4 M •- or •+ are analyzed using the Koopmans-based method, which…”
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Intermolecular Electron Transfer Reactivity Determined from Cross-Rate Studies by Nelsen, Stephen F, Pladziewicz, Jack R

“…Electron-transfer cross-reactions between neutral molecules and their radical cations spanning a wide range of structural type and intrinsic reactivity have…”
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