The Electronic Proprieties of the Silver Clusters

Mariana Virginia Popa

doi:doi:10.11648/j.ijctc.20140206.11

| Peer-Reviewed

The Electronic Proprieties of the Silver Clusters

Mariana Virginia Popa

Published in International Journal of Computational and Theoretical Chemistry (Volume 2, Issue 6)

Received: 18 November 2014 Accepted: 9 December 2014 Published: 22 December 2014

Views: Downloads:

Download PDF

Share This Article

Twitter
Linked In
Facebook

Abstract

En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.

Published in	International Journal of Computational and Theoretical Chemistry (Volume 2, Issue 6)
DOI	10.11648/j.ijctc.20140206.11
Page(s)	46-68
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2014. Published by Science Publishing Group

Keywords

Silver, Relativystic Effects, Metal Clusters

References

[1]	Huda M.N.; Ray A. K.; Phys. Rev. A, 2003, 67, 013210.
[2]	Fournier R., J. Chem. Phys., 2001, 2165.
[3]	Wnag B.; Chen X.; Wang J.; Zhao J., Surface Review and Letters, 2004, 11,15.
[4]	Monti O.L.A.; Fourkas, J.T.;Nesbitt D.J., J. Phys. Chem. B, 2004, 108, 1604.
[5]	Zhang L.;Yuu J.C., Ho Yin Yip; Li Q.; Kwong K. W.; Xu A. Wu; Wong Po K.; Langmuir, 2003, 19, 10372.
[6]	Yuranava T.; Rincon A.G.; Bozzi A.G.; Parra S.; Pulgarin C.; Albers P.; Kiwi J., J. Photochem, Photobiol.A., 2003, 161, 27.
[7]	Empedocles; Neuhauser R.; Shimizu K.; Bawendi M.G., Adv. Mater., 1999, 11, 1243.
[8]	Link S.; El-Sayed , Int Rev. Phys. Chem., 2000, 19, 409.
[9]	Andersen P.C.; Rowlen K.L., Appl. Spectroscop., 2002, 56, 124 A.
[10]	Henglein A., Chem. Rev. 1989, 89, 1861.
[11]	Kim S.H.; Ribeiro G.M.; Ohlberg D.A.A.; Williams R.S., Heath J.R., J.Phys. Chem., 1999, 103, 10341.
[12]	Zuhuang J., Bactericidal nanosilver cloth and its making proces and use. Patent number CN 1387700, 2003.
[13]	Chen C.M.S., Process for preparing antibacterial antimildew polyacrylic fibers and its filter net for air condiyioner. Patent number CN 1355335, 2003.
[14]	Lee H.J.; Yeo .S.Y.; Jeong, J. Mat. Sci., 2003,38, 2199.
[15]	Balasubramanian K., J. Phys. Chem., 1989, 93, 6585.
[16]	Ichihara K.T.; Fujita Y.;Matsuo T., Sakuray T.; Matsuda H., Int. J. Mass, Spectrom. In. Proc., 1985, 67, 229; ibid. 1986, 74, 33.
[17]	Handschuh H.; Cha C.Y.; Bechthold P.S.; Ganteför, Eberhatdt W., J. Chem. Phys., 1995, 102, 6406.
[18]	Haslett T.L.; Bosnick K.A.; Fedrigo S.; Moskovits M., J. Chem. 1999, 11, 14, 6456,
[19]	Wedum E.E.; Grant E.R.; Cheng P.Y.; Willy K.F.; Duncan M.A., J. Chem. Phys. Lett., 1991, 100, 6312.
[20]	Félix C.; Sieber C.; Harbich W.; Buttet J.; Rabin I.; Schultze W. Ertl, Chem. Phys. Lett., 1999, 313, 195.
[21]	Howard J.A.; Sutcliffe R.; Mile B., Surf. Sci., 1985, 156, 214.
[22]	Haslett T.L.; Bosnick K.A.; Moskovits M., J. Chem. Phys., 1998, 108, 3453.
[23]	Rabin I.; Jackschath C.; Schultze W., Z. Phys. D, 1991, 19, 153. Jackschath, Rabin I.; Schultze W., ibid, 1992, 22, 517.
[24]	Allameddin G.; Hunter J., Cameron D.; Kappes M.M., Chem. Phys. Lett, 1992, 192, 122.
[25]	Ho J.; Ervin K.M.; Lineberger, J. Chem. Phys. 1990, 93, 6987.
[26]	Leopold, D.G.; Ho J.; Leneberger W.C., J. Chem. Phys., 1987, 86, 1715.
[27]	Taylor K.J., Pettiette-Hall C.L.; Cheshnovsky O.; Smalley, J. Chem. Phys., 1992, 96, 3319.
[28]	Handuschu H.; Chaa C. Y.; Bechtold P.S., Ganteför G.; Eberhatdt, J. Chem. Phys., 1995, 102, 6406.
[29]	Okazaki T.; Saito Y., Kasuya A., Nishina Y., J. Chem. Phys., 1996, 104, 812.
[30]	Tiggesbäumeker T.; Köller L., Meiwes-Broer K.; Liebesch A., Phys. Rev. A, 1993, 48, 1749.
[31]	Minemoto, Iseda M., Kondow T., Eur. Phys. J.D., 1999, 9, 163.
[32]	Bonačič Koutecký V.; Češpiva; Fantucci P.; Pittner J.; Koutecký J., J. Chem. Phys., 1994, 100, 1.
[33]	Santamaria R.; Kaplan I. G.; Novaro O.; Chem. Phys. Letters, 1994, 218, 395.
[34]	Liu Z.F.; Yim W.L.; Tse J.S.; Hafner J., Eur. Phys. J.D., 2000, 10,105.
[35]	Zhao J.; Luo Y.; Wang Eur. Phys., J. D, 2001, 14, 309.
[36]	Legge Sue F., Nyberg Graeme L., Peel Barrie J., J. Phys. Chem A, 2001, 105, 7905.
[37]	Weis P.; Bierweiler T.; Gilb S.; Kappes M.M., Chem Phys. Lett., 2002, 355, 355.
[38]	Mitrić, Hartmann M.; Stanca B.; Bonačič Koutecký V.; Fantucci, J. Phys. Chem., 2001, A 105, 8892.
[39]	Poteau R.; Heully J.L.; Spiegelman F.; Z. Phys. D, 1997, 49, 479.
[40]	Tian Z.M., Tian Y.; Wei W.M.; He T.J.; Chen D.M.; Liu F.C., Chem. Phis. Lett, 2006, 420, 450.
[41]	Wedum E.E., Grant E.R., Chang P.Y.; Willey K.F.; Duncan M.A., J. Chem. Phys., 1994,100.
[42]	Cheng P.Y.; Duncan M.A., Chem Phys. Lett., 1988, 152, 341.
[43]	Ellis M.; Robles E.S.J., Millar I.A., Chem Phys. Letter.,1993, 201 132.
[44]	Bonačič Koutecký V.; Veyeret V.; Mitric R., J. Chem. Phys., 2001, 115, 10450.
[45]	Hay P.J.; Wadt W.R., J. Chem. Phys., 1985, 82, 284.
[46]	Hay P.J.; Wadt W.R., J. Chem. Phys., 1985, 82, 299.
[47]	Boo D. Wan; Ozaki Y.; Andersen L. H.; Lineberger W.C., J. Phys. Chem A., 1997, 101, 6688.
[48]	Ho J.; Ervin K.M., Lienberger W.C., J. Chem. Phys. 1990, 93, 6987.
[49]	Bagatur'yants A.A.; Safanov A.A., Stoll H.; Werner H.J., J. Chem. Phys., 1998, 109, 3096.
[50]	Boo Wan D., Ozaki Y., Andersen L. H.; Lineberger W.C., J. Phys. Chem A., 1997, 101, 6688.
[51]	Schultze W.; Becker H.U.; Minkwitz R.; Mansel K., Chem. Phys. Letters, 1978, 55, 59.
[52]	Moskowits M., DiLella D.P., J. Chem. Phys., 1980, 72, 2267.
[53]	Joward J.A.; Preston K.F.; J. Am. Chem. Soc. 1981, 103, 6226.
[54]	Kernisant K., Thompson G.A., Lindsay D.M., J. Chem. Phys., 1985, 82, 4739.
[55]	Morse M.D., Chem. Rev. 1986, 86, 1049.
[56]	Bonačić-Koutecký V.; Češpiva L., J. Chem. Phys., 1993, 98, 7981.
[57]	Basch H., J. Am. Chem. Soc., 1981, 103, 4657.
[58]	Matulis V.E; Ivashkevich O.A.; Gurin V.S, J. Molec. Struct. (Theochem), 2003, 664-665, 291.
[59]	Häkkinen H.; Moseler M.; Landman Uzi, Physical Rev. Lett., 2002, 89, 033401-1.
[60]	Huda M.N.; Ray A.K., Eur. Phys. J. D, 2003, 22, 217.
[61]	Boo Wan D.; Ozaki Y, Andersen L. H.; Lineberger W.C, J. Phys. Chem A., 1997, 101, 6688.
[62]	Spasov V.A., Lee T.H. ; Maberry J.P. ; Ervin K.M., J. Chem. Phys., 1999, 110, 5208,
[63]	Shi Y., Spasov V.A., Ervin K.M., J. Chem. Phys., 1999, 111, 938.
[64]	Moore C.E., Atomic energy levels, NSRDS-NBS Circular No. 467, USGPO,Washington, 1949.
[65]	Zuhuang J., Bactericidal nano-silver cloth and its making process and use. Patent number CN 1387700, 2003.
[66]	Rabin I., Jackschath C.; Schulze W., Z. Phys. D, 1991, 19, 153,. Jackschath C., Rabin I.; Schulze W., ibid. 1992, 22, 517.
[67]	Ekardt W., Phys. Rev. B, 1984, 29, 1558.
[68]	C.E. Moore, Atomic energy levels, NSRDS-NBS Circular No. 467, USGPO, Washington, 1949.
[69]	Foresman J.B., Frisch A., Gaussian, Inc. Pittsburgh, PA, 230-249, 1996.

Cite This Article

Plain Text BibTeX RIS

APA Style

Mariana Virginia Popa. (2014). The Electronic Proprieties of the Silver Clusters. International Journal of Computational and Theoretical Chemistry, 2(6), 46-68. https://doi.org/10.11648/j.ijctc.20140206.11

Copy | Download

ACS Style

Mariana Virginia Popa. The Electronic Proprieties of the Silver Clusters. Int. J. Comput. Theor. Chem. 2014, 2(6), 46-68. doi: 10.11648/j.ijctc.20140206.11

Copy | Download

AMA Style

Mariana Virginia Popa. The Electronic Proprieties of the Silver Clusters. Int J Comput Theor Chem. 2014;2(6):46-68. doi: 10.11648/j.ijctc.20140206.11

Copy | Download

@article{10.11648/j.ijctc.20140206.11,
  author = {Mariana Virginia Popa},
  title = {The Electronic Proprieties of the Silver Clusters},
  journal = {International Journal of Computational and Theoretical Chemistry},
  volume = {2},
  number = {6},
  pages = {46-68},
  doi = {10.11648/j.ijctc.20140206.11},
  url = {https://doi.org/10.11648/j.ijctc.20140206.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijctc.20140206.11},
  abstract = {En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.},
 year = {2014}
}

Copy | Download

TY  - JOUR
T1  - The Electronic Proprieties of the Silver Clusters
AU  - Mariana Virginia Popa
Y1  - 2014/12/22
PY  - 2014
N1  - https://doi.org/10.11648/j.ijctc.20140206.11
DO  - 10.11648/j.ijctc.20140206.11
T2  - International Journal of Computational and Theoretical Chemistry
JF  - International Journal of Computational and Theoretical Chemistry
JO  - International Journal of Computational and Theoretical Chemistry
SP  - 46
EP  - 68
PB  - Science Publishing Group
SN  - 2376-7308
UR  - https://doi.org/10.11648/j.ijctc.20140206.11
AB  - En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.
VL  - 2
IS  - 6
ER  -

Copy | Download

Author Information

Mariana Virginia Popa

Electronic and Telecomunication, Autonomous University of the Hidalgo State, Mexico

Download PDF

Sections

Plain Text BibTeX RIS

APA Style

Mariana Virginia Popa. (2014). The Electronic Proprieties of the Silver Clusters. International Journal of Computational and Theoretical Chemistry, 2(6), 46-68. https://doi.org/10.11648/j.ijctc.20140206.11

Copy | Download

ACS Style

Mariana Virginia Popa. The Electronic Proprieties of the Silver Clusters. Int. J. Comput. Theor. Chem. 2014, 2(6), 46-68. doi: 10.11648/j.ijctc.20140206.11

Copy | Download

AMA Style

Mariana Virginia Popa. The Electronic Proprieties of the Silver Clusters. Int J Comput Theor Chem. 2014;2(6):46-68. doi: 10.11648/j.ijctc.20140206.11

Copy | Download

@article{10.11648/j.ijctc.20140206.11,
  author = {Mariana Virginia Popa},
  title = {The Electronic Proprieties of the Silver Clusters},
  journal = {International Journal of Computational and Theoretical Chemistry},
  volume = {2},
  number = {6},
  pages = {46-68},
  doi = {10.11648/j.ijctc.20140206.11},
  url = {https://doi.org/10.11648/j.ijctc.20140206.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijctc.20140206.11},
  abstract = {En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.},
 year = {2014}
}

Copy | Download

TY  - JOUR
T1  - The Electronic Proprieties of the Silver Clusters
AU  - Mariana Virginia Popa
Y1  - 2014/12/22
PY  - 2014
N1  - https://doi.org/10.11648/j.ijctc.20140206.11
DO  - 10.11648/j.ijctc.20140206.11
T2  - International Journal of Computational and Theoretical Chemistry
JF  - International Journal of Computational and Theoretical Chemistry
JO  - International Journal of Computational and Theoretical Chemistry
SP  - 46
EP  - 68
PB  - Science Publishing Group
SN  - 2376-7308
UR  - https://doi.org/10.11648/j.ijctc.20140206.11
AB  - En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.
VL  - 2
IS  - 6
ER  -

Copy | Download