- About this Journal ·
- Aims and Scope ·
- Article Processing Charges ·
- Author Guidelines ·
- Bibliographic Information ·
- Citations to this Journal ·
- Contact Information ·
- Editorial Board ·
- Editorial Workflow ·
- Free eTOC Alerts ·
- Publication Ethics ·
- Recently Accepted Articles ·
- Reviewers Acknowledgment ·
- Submit a Manuscript ·
- Subscription Information ·
- Table of Contents
ISRN Organic Chemistry
Volume 2011 (2011), Article ID 920753, 5 pages
Computational Study of Coordinated Ni(II) Complex with High Nitrogen Content Ligands
School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China
Received 29 January 2011; Accepted 21 March 2011
Academic Editors: A. Barbero, G. Giambastiani, and C. Thomas
Copyright © 2011 Bo Tang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- M. R. Manaa, E. J. Reed, L. E. Fried, and N. Goldman, “Nitrogen-rich heterocycles as reactivity retardants in shocked insensitive explosives,” Journal of the American Chemical Society, vol. 131, no. 15, pp. 5483–5487, 2009.
- J. C. Gálvez-Ruiz, G. Holl, K. Karaghiosoff et al., “Derivatives of 1,5-diamino-1H-tetrazole: a new family of energetic heterocyclic-based salts,” Inorganic Chemistry, vol. 44, no. 12, pp. 4237–4253, 2005.
- D. L. Strout, “Cage isomers of N14 and N16: nitrogen molecules that are not a multiple of six,” Journal of Physical Chemistry A, vol. 108, no. 49, pp. 10911–10916, 2004.
- L. Y. Bruney, T. M. Bledson, and D. L. Strout, “What makes an N12 cage stable?” Inorganic Chemistry, vol. 42, no. 24, pp. 8117–8120, 2003.
- A. Hammerl and T. M. Klapötke, “Tetrazolylpentazoles: nitrogen-rich compounds,” Inorganic Chemistry, vol. 41, no. 4, pp. 906–912, 2002.
- K. Karaghiosoff, T. M. Klapötke, P. Mayer, C. M. Sabaté, A. Penger, and J. M. Welch, “Salts of methylated 5-aminotetrazoles with energetic anions,” Inorganic Chemistry, vol. 47, no. 3, pp. 1007–1019, 2008.
- Z. X. Chen, J. M. Xiao, H. M. Xiao, and Y. N. Chiu, “Studies on heats of formation for tetrazole derivatives with density functional theory B3LYP method,” Journal of Physical Chemistry A, vol. 103, no. 40, pp. 8062–8066, 1999.
- C. Sita, V. K. Mohan, and M. G. R. Reddy, “Studies on thermal decomposition and explosive properties of some novel metal complexes of aryl mercapto tetrazoles,” Journal of Energetic Materials, vol. 11, pp. 1–37, 1993.
- M. H. V. Huynh, M. A. Hiskey, and R. Gilardi, “Preparation and explosive properties of tetraamminebis(3,5-dinitro-1,2,4- triazolato-N1 )copper(II),” Journal of Energetic Materials, vol. 23, no. 1, pp. 27–32, 2005.
- M. Comet, V. Pichot, B. Siegert, F. Schnell, F. Ciszek, and D. Spitzer, “Phosphorus-based nanothermites: a new generation of energetic materials,” Journal of Physics and Chemistry of Solids, vol. 71, no. 2, pp. 64–68, 2010.
- J. Bian, Y. Chang, and J. Zhang, “Theoretical studies on the magnetic bistability of dinickel complex tuned by azide,” Journal of Physical Chemistry A, vol. 112, no. 14, pp. 3186–3191, 2008.
- P. Mukherjee, M. G. B. Drew, C. J. Gómez-García, and A. Ghosh, “The crucial role of polyatomic anions in molecular architecture: structural and magnetic versatility of five nickel(II) complexes derived from A N,N,O-donor schiff base ligand,” Inorganic Chemistry, vol. 48, no. 13, pp. 5848–5860, 2009.
- P. Paul and K. Nag, “Sulfur-nitrogen-bonded metal chelates. 18. 1,3-dipolar cycloadditions to coordinated azide in nickel(II) complexes of the types [Ni(S-N-N)(N3)] and [S-N-N)Ni(N3)Ni(N-N-S)](ClO4)],” Inorganic Chemistry, vol. 26, no. 18, pp. 2969–2974, 1987.
- A. N. Georgopoulou, C. P. Raptopoulou, V. Psycharis, R. Ballesteros, B. Abarca, and A. K. Boudalis, “Ferromagnetic , , and azido complexes derived from metal-assisted methanolysis of di-2,6-(2-pyridylcarbonyl)pyridine,” Inorganic Chemistry, vol. 48, pp. 3167–3176, 2009.
- S. Mandai, V. Balamurugan, F. Lloret, and R. Mukherjee, “Syntheses, X-ray structures, and physicochemical properties of phenoxo-bridged dinuclear nickel(II) complexes: kinetics of transesterification of 2-hydroxypropyl-p-nitrophenylphosphate,” Inorganic Chemistry, vol. 48, no. 16, pp. 7544–7556, 2009.
- J. Liu, J. Xiao, S. B. Choi et al., “The electronic structures of Co and Ni tetraazaannulenes,” Journal of Physical Chemistry B, vol. 110, no. 51, pp. 26180–26184, 2006.
- S. Chattopadhyay, T. Deb, J. L. Petersen, V. G. Young, and M. P. Jensen, “Steric titration of arylthiolate coordination modes at pseudotetrahedral nickel(II) centers,” Inorganic Chemistry, vol. 49, no. 2, pp. 457–467, 2010.
- T. M. Klapötke and C. M. Sabaté, “Nitrogen-rich tetrazolium azotetrazolate salts: a new family of insensitive energetic materials,” Chemistry of Materials, vol. 20, no. 5, pp. 1750–1763, 2008.
- T. M. Klapötke, J. Stierstorfer, and A. U. Wallek, “Nitrogen-rich salts of 1-methyl-5-nitriminotetrazolate: an auspicious class of thermally stable energetic materials,” Chemistry of Materials, vol. 20, no. 13, pp. 4519–4530, 2008.
- N. J. Mayhall, K. Raghavachari, P. C. Redfern, and L. A. Curtiss, “Investigation of gaussian4 theory for transition metal thermochemistry,” Journal of Physical Chemistry A, vol. 113, no. 17, pp. 5170–5175, 2009.
- P. E. M. Siegbahn, “Quantum chemical studies of redox-active enzymes,” Faraday Discussions, vol. 124, pp. 289–296, 2003.
- D. V. Chachkov and O. V. Mikhailov, “DFT B3LYP calculation of the spatial structure of Co(II), Ni(II), and Cu(II) template complexes formed in ternary systems metal(II) ion-dithiooxamide-formaldehyde,” Russian Journal of Inorganic Chemistry, vol. 54, no. 12, pp. 1952–1956, 2009.
- H. B. Schlegel, “Optimization of equilibrium geometries and transition structures,” Journal of Physical Chemistry, vol. 3, pp. 214–218, 1982.
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, Pa, USA, 2003.
- M. W. Wong, “Vibrational frequency prediction using density functional theory,” Chemical Physics Letters, vol. 256, no. 4-5, pp. 391–399, 1996.