Please use this identifier to cite or link to this item: https://doi.org/10.1007/s00894-005-0043-5
DC FieldValue
dc.titleSynthesis, DFT calculations, linear and nonlinear optical properties of binuclear phthalocyanine gallium chloride
dc.contributor.authorCalvete, M.J.F.
dc.contributor.authorDini, D.
dc.contributor.authorHanack, M.
dc.contributor.authorSancho-García, J.C.
dc.contributor.authorChen, W.
dc.contributor.authorJi, W.
dc.date.accessioned2014-10-16T09:44:13Z
dc.date.available2014-10-16T09:44:13Z
dc.date.issued2006-07
dc.identifier.citationCalvete, M.J.F., Dini, D., Hanack, M., Sancho-García, J.C., Chen, W., Ji, W. (2006-07). Synthesis, DFT calculations, linear and nonlinear optical properties of binuclear phthalocyanine gallium chloride. Journal of Molecular Modeling 12 (5) : 543-550. ScholarBank@NUS Repository. https://doi.org/10.1007/s00894-005-0043-5
dc.identifier.issn16102940
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98203
dc.description.abstractThe axially substituted binuclear GaCl/GaCl phthalocyanine 1 with an unsymmetrical pattern of substitution has been prep ared and its nonlinear optical (NLO) properties determined. The resulting binuclear complex retains approximately the same transition energies of monomeric (RO)8PcGaCl as far as the linear optical spectrum is concerned, although 1 has a double concentration of central atoms per molecule and an enlarged conjugated ligand. The lack of significant spectral shifts in passing from mononuclear to binuclear complexes has been rationalized theoretically by means of density functional theory calculations. The purpose of the present study is to determine whether binuclearity affects the optical limiting behavior of 1 with respect to monomeric (RO)8PcGaCl in the NLO regime determined by nanosecond laser pulses. © Springer-Verlag 2005.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1007/s00894-005-0043-5
dc.sourceScopus
dc.subjectAromaticity
dc.subjectBinuclear
dc.subjectDensity functional theory
dc.subjectNonlinear optics
dc.subjectPhthalocyanine
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1007/s00894-005-0043-5
dc.description.sourcetitleJournal of Molecular Modeling
dc.description.volume12
dc.description.issue5
dc.description.page543-550
dc.description.codenJMMOF
dc.identifier.isiut000239248300004
Appears in Collections:Staff Publications

Show simple item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

30
checked on Feb 26, 2021

WEB OF SCIENCETM
Citations

29
checked on Feb 26, 2021

Page view(s)

65
checked on Feb 28, 2021

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.