Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution...
Ausführliche Beschreibung

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Autor*in:	Mukherjee, Abhi [verfasserIn] Thorat, Kishor G. Sekar, Nagaiyan Panda, Siddhartha

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2019

Schlagwörter:	Dye Immobilization DFT TDDFT B3LYP.CAMB3LYP Spectra Linker Aggregates

Anmerkung:	© Springer Nature Switzerland AG 2019

Übergeordnetes Werk:	Enthalten in: SN applied sciences - [Cham] : Springer International Publishing, 2019, 1(2019), 7 vom: 07. Juni
Übergeordnetes Werk:	volume:1 ; year:2019 ; number:7 ; day:07 ; month:06

Links:	Volltext

DOI / URN:	10.1007/s42452-019-0714-y

Katalog-ID:	SPR03857585X

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520			\|a Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes.
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912			\|a GBV_ILN_90
912			\|a GBV_ILN_95
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912			\|a GBV_ILN_110
912			\|a GBV_ILN_138
912			\|a GBV_ILN_151
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912			\|a GBV_ILN_161
912			\|a GBV_ILN_170
912			\|a GBV_ILN_171
912			\|a GBV_ILN_187
912			\|a GBV_ILN_213
912			\|a GBV_ILN_224
912			\|a GBV_ILN_230
912			\|a GBV_ILN_285
912			\|a GBV_ILN_293
912			\|a GBV_ILN_370
912			\|a GBV_ILN_602
912			\|a GBV_ILN_636
912			\|a GBV_ILN_702
912			\|a GBV_ILN_2001
912			\|a GBV_ILN_2003
912			\|a GBV_ILN_2004
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912			\|a GBV_ILN_2007
912			\|a GBV_ILN_2009
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912			\|a GBV_ILN_2011
912			\|a GBV_ILN_2014
912			\|a GBV_ILN_2015
912			\|a GBV_ILN_2020
912			\|a GBV_ILN_2021
912			\|a GBV_ILN_2025
912			\|a GBV_ILN_2026
912			\|a GBV_ILN_2027
912			\|a GBV_ILN_2031
912			\|a GBV_ILN_2034
912			\|a GBV_ILN_2037
912			\|a GBV_ILN_2038
912			\|a GBV_ILN_2039
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912			\|a GBV_ILN_2049
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912			\|a GBV_ILN_2055
912			\|a GBV_ILN_2057
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Indexfelder

author_variant	a m am k g t kg kgt n s ns s p sp
matchkey_str	article:25233971:2019----::hnenpcrlrprisfyspnmoiiainniiosraeaobndh
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publishDate	2019
allfields	10.1007/s42452-019-0714-y doi (DE-627)SPR03857585X (SPR)s42452-019-0714-y-e DE-627 ger DE-627 rakwb eng Mukherjee, Abhi verfasserin aut Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Springer Nature Switzerland AG 2019 Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213 Thorat, Kishor G. aut Sekar, Nagaiyan aut Panda, Siddhartha (orcid)0000-0001-9131-4264 aut Enthalten in SN applied sciences [Cham] : Springer International Publishing, 2019 1(2019), 7 vom: 07. Juni (DE-627)103761139X (DE-600)2947292-1 2523-3971 nnns volume:1 year:2019 number:7 day:07 month:06 https://dx.doi.org/10.1007/s42452-019-0714-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_90 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_138 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 1 2019 7 07 06
spelling	10.1007/s42452-019-0714-y doi (DE-627)SPR03857585X (SPR)s42452-019-0714-y-e DE-627 ger DE-627 rakwb eng Mukherjee, Abhi verfasserin aut Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Springer Nature Switzerland AG 2019 Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213 Thorat, Kishor G. aut Sekar, Nagaiyan aut Panda, Siddhartha (orcid)0000-0001-9131-4264 aut Enthalten in SN applied sciences [Cham] : Springer International Publishing, 2019 1(2019), 7 vom: 07. Juni (DE-627)103761139X (DE-600)2947292-1 2523-3971 nnns volume:1 year:2019 number:7 day:07 month:06 https://dx.doi.org/10.1007/s42452-019-0714-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_90 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_138 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 1 2019 7 07 06
allfields_unstemmed	10.1007/s42452-019-0714-y doi (DE-627)SPR03857585X (SPR)s42452-019-0714-y-e DE-627 ger DE-627 rakwb eng Mukherjee, Abhi verfasserin aut Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Springer Nature Switzerland AG 2019 Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213 Thorat, Kishor G. aut Sekar, Nagaiyan aut Panda, Siddhartha (orcid)0000-0001-9131-4264 aut Enthalten in SN applied sciences [Cham] : Springer International Publishing, 2019 1(2019), 7 vom: 07. Juni (DE-627)103761139X (DE-600)2947292-1 2523-3971 nnns volume:1 year:2019 number:7 day:07 month:06 https://dx.doi.org/10.1007/s42452-019-0714-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_90 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_138 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 1 2019 7 07 06
allfieldsGer	10.1007/s42452-019-0714-y doi (DE-627)SPR03857585X (SPR)s42452-019-0714-y-e DE-627 ger DE-627 rakwb eng Mukherjee, Abhi verfasserin aut Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Springer Nature Switzerland AG 2019 Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213 Thorat, Kishor G. aut Sekar, Nagaiyan aut Panda, Siddhartha (orcid)0000-0001-9131-4264 aut Enthalten in SN applied sciences [Cham] : Springer International Publishing, 2019 1(2019), 7 vom: 07. Juni (DE-627)103761139X (DE-600)2947292-1 2523-3971 nnns volume:1 year:2019 number:7 day:07 month:06 https://dx.doi.org/10.1007/s42452-019-0714-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_90 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_138 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 1 2019 7 07 06
allfieldsSound	10.1007/s42452-019-0714-y doi (DE-627)SPR03857585X (SPR)s42452-019-0714-y-e DE-627 ger DE-627 rakwb eng Mukherjee, Abhi verfasserin aut Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Springer Nature Switzerland AG 2019 Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213 Thorat, Kishor G. aut Sekar, Nagaiyan aut Panda, Siddhartha (orcid)0000-0001-9131-4264 aut Enthalten in SN applied sciences [Cham] : Springer International Publishing, 2019 1(2019), 7 vom: 07. Juni (DE-627)103761139X (DE-600)2947292-1 2523-3971 nnns volume:1 year:2019 number:7 day:07 month:06 https://dx.doi.org/10.1007/s42452-019-0714-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_90 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_138 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 1 2019 7 07 06
language	English
source	Enthalten in SN applied sciences 1(2019), 7 vom: 07. Juni volume:1 year:2019 number:7 day:07 month:06
sourceStr	Enthalten in SN applied sciences 1(2019), 7 vom: 07. Juni volume:1 year:2019 number:7 day:07 month:06
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Dye Immobilization DFT TDDFT B3LYP.CAMB3LYP Spectra Linker Aggregates
isfreeaccess_bool	false
container_title	SN applied sciences
authorswithroles_txt_mv	Mukherjee, Abhi @@aut@@ Thorat, Kishor G. @@aut@@ Sekar, Nagaiyan @@aut@@ Panda, Siddhartha @@aut@@
publishDateDaySort_date	2019-06-07T00:00:00Z
hierarchy_top_id	103761139X
id	SPR03857585X
language_de	englisch
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author	Mukherjee, Abhi
spellingShingle	Mukherjee, Abhi misc Dye misc Immobilization misc DFT misc TDDFT misc B3LYP.CAMB3LYP misc Spectra misc Linker misc Aggregates Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
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topic_title	Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study Dye (dpeaa)DE-He213 Immobilization (dpeaa)DE-He213 DFT (dpeaa)DE-He213 TDDFT (dpeaa)DE-He213 B3LYP.CAMB3LYP (dpeaa)DE-He213 Spectra (dpeaa)DE-He213 Linker (dpeaa)DE-He213 Aggregates (dpeaa)DE-He213
topic	misc Dye misc Immobilization misc DFT misc TDDFT misc B3LYP.CAMB3LYP misc Spectra misc Linker misc Aggregates
topic_unstemmed	misc Dye misc Immobilization misc DFT misc TDDFT misc B3LYP.CAMB3LYP misc Spectra misc Linker misc Aggregates
topic_browse	misc Dye misc Immobilization misc DFT misc TDDFT misc B3LYP.CAMB3LYP misc Spectra misc Linker misc Aggregates
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title	Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
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title_full	Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
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author_browse	Mukherjee, Abhi Thorat, Kishor G. Sekar, Nagaiyan Panda, Siddhartha
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title_sort	change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
title_auth	Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
abstract	Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. © Springer Nature Switzerland AG 2019
abstractGer	Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. © Springer Nature Switzerland AG 2019
abstract_unstemmed	Abstract Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes. © Springer Nature Switzerland AG 2019
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title_short	Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study
url	https://dx.doi.org/10.1007/s42452-019-0714-y
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doi_str	10.1007/s42452-019-0714-y
up_date	2024-07-03T18:56:57.494Z
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Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. 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Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

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