title: Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.
abstract: Complexes of 3-amino-6-(3,5-dimethylpyrazole)tetrazine) (NH2TzDMP, 1) and 3-(3,3'-dinitroazetidine)-6-(3,5-dimethylpyrazole)tetrazine) (DNAZTzDMP, 2) with first row transition metal centers were synthesized. Reactions of Fe(II)(H2O)6(BF4)2 and Fe(NO3)3·9H2O with 1 and 2 both led to complexes of the form [(RTzDMP)3Fe]X2 (X = BF4, R = NH2 (3), DNAZ (4); X = NO3, R = NH2 (5), DNAZ (6)), which showed intense MLCT bands in the visible region of the spectrum. Ligands 1 and 2 also reacted with Cu(II)(NO3)2·5/2H2O to form [(RTzDMP)2Cu(NO3)][NO3] (R = NH2 (7), DNAZ (8)) in addition to reacting with Cu(I)(CH3CN)4(PF6) to form [(RTzDMP)2Cu][PF6] (R = NH2 (9), DNAZ (10)). Lastly reactions of 1 and 2 with Co(NO3)2·6H2O and Ni(NO3)2·6H2O led to [(NH2TzDMP)2Co(H2O) (NO3)][NO3] (11), [(DNAZTzDMP)2Co(H2O)2][NO3]2 (12), [(NH2TzDMP)3Ni][NO3]2 (13), and [(DNAZTzDMP)2Ni(H2O)2][NO3]2 (14). The complexes display rich electrochemical and photophysical properties that are unaffected by derivation with explosive groups.
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: Thomas W
authors.initials: TW
authors.lastname: Myers
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: David E
authors.initials: DE
authors.lastname: Chavez
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: Susan K
authors.initials: SK
authors.lastname: Hanson
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: R Jason
authors.initials: RJ
authors.lastname: Scharff
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: Brian L
authors.initials: BL
authors.lastname: Scott
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: Jacqueline M
authors.initials: JM
authors.lastname: Veauthier
authors.affiliation: †M Division, ‡Chemistry Division, §Materials Physics and Applications, and ∥Bioscience Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, United States.
authors.forename: Ruilian
authors.initials: R
authors.lastname: Wu
mesh_terms: D018360:Crystallography, X-Ray; D004355:Drug Stability; D004563:Electrochemistry; D053834:Explosive Agents / Q000138:chemical synthesis / Q000737:chemistry*; D008024:Ligands; D055595:Mechanical Phenomena; D008958:Models, Molecular; D008968:Molecular Conformation; D055620:Optical Phenomena; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D011720:Pyrazoles / Q000737:chemistry*; D013696:Temperature; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D053834:Explosive Agents; D008024:Ligands; D009942:Organometallic Compounds; D011720:Pyrazoles; D028561:Transition Elements; C027635:3,5-dimethylpyrazole