Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 2: A Comparison of Ab Initio and Density Functional Methods in the Description of Redox Processes-Reference-Cited by-同舟云学术

Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 2: A Comparison of Ab Initio and Density Functional Methods in the Description of Redox Processes

Published:2001-07-24 Issue:32 Volume:105 Page:7626-7633
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kaszynski Piotr¹

Affiliation:

1. Organic Materials Research Group, Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0109574

Reference30 articles.

1. Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 1: A Comparison of Ab Initio and Density Functional Methods in Calculations of Molecular Geometry and Isotropic Hyperfine Coupling Constants

2. Preparation and Characterization of the Disjoint Diradical 4,4‘-Bis(1,2,3,5-dithiadiazolyl) [S2N2C−CN2S2] and Its Iodine Charge Transfer Salt [S2N2C−CN2S2][I]

3. Charge Transfer Salts of Benzene-Bridged 1,2,3,5-Dithiadiazolyl Diradicals. Preparation, Structures, and Transport Properties of 1,3- and 1,4-[(S2N2C)C6H4(CN2S2)][X] (X = I, Br)

4. Preparation and solid state-structure of a 1,3,5-triazine-bridged tris(1,2,3,5-dithiadiazolyl) complex [N3C3(CN2S2)3]

5. Molecular semiconductors from bifunctional dithia- and diselenadiazolyl radicals. Preparation and solid-state structural and electronic properties of 1,4-[(E2N2C)C6H4(CN2E2)] (E = sulfur, selenium)

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