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Journal of Polymer Science Part A: Polymer Chemistry, ISSN 0887-624X, 01/2011, Volume 49, Issue 2, pp. 337 - 351
A new bis(triphenylamine)‐type dicarboxylic acid monomer, N , N ‐bis(4‐carboxyphenyl)‐ N ′, N ′‐bis(4‐ tert ‐butylphenyl)‐1,4‐phenylenediamine, was prepared by... 
cyclic voltammetry | electrochemistry | polyamides | triphenylamine | redox polymers | spectroelectrochemistry | electrochromic polymers | SOLUBLE POLYAMIDES | MAIN-CHAIN | POLYMER SCIENCE | MOLECULAR MATERIALS | MULTICOLORED ELECTROCHROMISM | PENDENT GROUPS | MOIETIES | LIGHT-EMITTING-DIODES | TRIPHENYLAMINE GROUP | N-PHOSPHONIUM SALTS | POLYMERIC ELECTROCHROMICS
Journal Article
Tetrahedron, ISSN 0040-4020, 06/2014, Volume 70, Issue 25, pp. 3909 - 3914
Three unique propeller-shaped helicenyl amines compounds: , -diphenyl- -naphtho[2,1- ]thieno[2,3- :3′,2′- ]dithiophene-5-yl-amine ( ), -phenyl- ,... 
Crystal structures | Helicenyl amines | Synthesis | TRIPHENYLAMINE | CHEMISTRY, ORGANIC | CRYSTAL-STRUCTURES | DERIVATIVES | DOUBLE HELICENE | Cytokinins | Amines | Thiophene | Nitrogen | Benzene
Journal Article
8. Full Text Role of the (H2O)n (n = 1-3) cluster in the HO2 + HO → 3O2 + H2O reaction: mechanistic and kinetic studiesElectronic supplementary information (ESI) available: Table S1 displays the rate constants (cm3 molecules−1 s−1) of the HO2 + HO → 3O2 + H2O reaction within the temperature range of 240.0-425.0 K; the optimized geometrical complexes between HO2 radical and (H2O)n (n = 1-3) and the complexes between HO radical and (H2O)n (n = 1-3) at the M06-2X/aug-cc-pVTZ level of theory are respectively shown in Fig. S1; the equilibrium constants of the complexes between HO2 radical and (H2O)n (n = 1-3), as well as the complexes between HO radical and (H2O)n (n = 1-3) within the temperature range of 240.0-425.0 K are displayed in Table S2; geometrical parameters for the reaction HO2 + HO → H2O + 3O2 with the catalyst X (X = H2O, (H2O)2 and (H2O)3) optimized at the CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ level of theory, respectively, are described in Fig. S2-S4; zero point energies (ZPE/(kcal mol−1)), entropies (S/(cal mol−1 K−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298 K)/(kcal mol−1)), and free energies (ΔG(298 K)/(kcal mol−1)) for complexes between HO2 radical and (H2O)n (n = 1-3) as well as complexes between HO radical and (H2O)n (n = 1-3) are listed in Table S3; zero point energies (ZPE/(kcal mol−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298)/(kcal mol−1)), and free energies (ΔG(298)/(kcal mol−1)) for the HO2 + HO → H2O + 3O2 reaction without and with (H2O)n (n = 1-3) are listed in Tables S4, S5, S6 and S7, respectively. Table S8 displays the calculated total electronic energies (E) for the reactants, intermediates, transition states, and products for the reaction HO2 + HO2 → H2O2 + 3O2 without water, complexes between HO2 radical and H2O, and complexes between HO radical and H2O at the CCSD(T) level in conjunction with the aug-cc-pVTZ, aug-cc-pVQZ, and aug-cc-pV5Z basis sets as well as at the M06-2X/aug-cc-pVTZ level of theory. Table S9 shows the rate constants and effective rate constants (cm3 molecule−1 s−1) of the HO2 + HO → H2O + 3O2 reaction with (H2O)n (n = 1-3) within the temperature range of 240-425 K in the earth's atmosphere. Fig. S5 shows schematic energy diagrams of the water-assisted HO2 + HO → 3O2 + H2O reaction. See DOI: 10.1039/c8cp00020d
ISSN 1463-9076, 3/2018, Volume 2, Issue 12, pp. 8152 - 8165
To study the catalytic effects of (H 2 O) n ( n = 1-3), the mechanisms of the reaction HO 2 + HO → 3 O 2 + H 2 O without and with (H 2 O) n ( n = 1-3) have... 
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2019, Volume 58, Issue 12, pp. 3885 - 3889
Herein, two new classes of macrocyclic compounds, terphen[ n ]arenes (TP n s) ( n =3–6) and quaterphen[ n ]arenes (QP n s) ( n =3–6), were designed and... 
iodine | noncovalent interactions | gels | macrocycles | extended biphenarenes | RECOGNITION | DRUG-DELIVERY | CHEMISTRY, MULTIDISCIPLINARY | FRAMEWORKS | FORMS | COMPLEXATION | VOLATILE IODINE | WATER
Journal Article
Dalton Transactions, ISSN 1477-9226, 10/2013, Volume 42, Issue 38, pp. 13931 - 13939
The reaction mechanism for CO-induced reduction of N2O mediated by (η(5)-C5Me5)Mo[N((i)Pr)C(Me)N((i)Pr)](CO)2 is studied using density functional theory (DFT).... 
Journal Article