Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)

Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR res...
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Autor*in:	El-Mansy, M. A. M. [verfasserIn] Suvitha, A. [verfasserIn] Narayana, B. [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2021

Schlagwörter:	MTTHPC FT-IR Band offsets NLO ADME indices Drug-like nature

Anmerkung:	© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021

Übergeordnetes Werk:	Enthalten in: Optical and quantum electronics - Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969, 53(2021), 8 vom: 22. Juli
Übergeordnetes Werk:	volume:53 ; year:2021 ; number:8 ; day:22 ; month:07

Links:	Volltext

DOI / URN:	10.1007/s11082-021-03057-w

Katalog-ID:	SPR044626525

Internformat


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245	1	0	\|a Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
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520			\|a Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology.
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650		4	\|a Band offsets \|7 (dpeaa)DE-He213
650		4	\|a NLO \|7 (dpeaa)DE-He213
650		4	\|a ADME indices \|7 (dpeaa)DE-He213
650		4	\|a Drug-like nature \|7 (dpeaa)DE-He213
700	1		\|a Suvitha, A. \|e verfasserin \|4 aut
700	1		\|a Narayana, B. \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Optical and quantum electronics \|d Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 \|g 53(2021), 8 vom: 22. Juli \|w (DE-627)312693869 \|w (DE-600)2000642-1 \|x 1572-817X \|7 nnns
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856	4	0	\|u https://dx.doi.org/10.1007/s11082-021-03057-w \|z lizenzpflichtig \|3 Volltext
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912			\|a GBV_ILN_69
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912			\|a GBV_ILN_73
912			\|a GBV_ILN_74
912			\|a GBV_ILN_90
912			\|a GBV_ILN_95
912			\|a GBV_ILN_100
912			\|a GBV_ILN_105
912			\|a GBV_ILN_110
912			\|a GBV_ILN_120
912			\|a GBV_ILN_138
912			\|a GBV_ILN_150
912			\|a GBV_ILN_151
912			\|a GBV_ILN_152
912			\|a GBV_ILN_161
912			\|a GBV_ILN_170
912			\|a GBV_ILN_171
912			\|a GBV_ILN_187
912			\|a GBV_ILN_206
912			\|a GBV_ILN_213
912			\|a GBV_ILN_224
912			\|a GBV_ILN_230
912			\|a GBV_ILN_250
912			\|a GBV_ILN_281
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
912			\|a GBV_ILN_2005
912			\|a GBV_ILN_2006
912			\|a GBV_ILN_2007
912			\|a GBV_ILN_2009
912			\|a GBV_ILN_2010
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
912			\|a GBV_ILN_2044
912			\|a GBV_ILN_2048
912			\|a GBV_ILN_2049
912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2055
912			\|a GBV_ILN_2056
912			\|a GBV_ILN_2057
912			\|a GBV_ILN_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2065
912			\|a GBV_ILN_2068
912			\|a GBV_ILN_2088
912			\|a GBV_ILN_2093
912			\|a GBV_ILN_2106
912			\|a GBV_ILN_2107
912			\|a GBV_ILN_2108
912			\|a GBV_ILN_2110
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2113
912			\|a GBV_ILN_2118
912			\|a GBV_ILN_2119
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2144
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912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4335
912			\|a GBV_ILN_4336
912			\|a GBV_ILN_4338
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912			\|a GBV_ILN_4700
936	b	k	\|a 33.38 \|q ASE
936	b	k	\|a 33.18 \|q ASE
936	b	k	\|a 33.23 \|q ASE
936	b	k	\|a 53.54 \|q ASE
936	b	k	\|a 52.88 \|q ASE
936	b	k	\|a 33.72 \|q ASE
951			\|a AR
952			\|d 53 \|j 2021 \|e 8 \|b 22 \|c 07

Indexfelder

author_variant	m a m e m mame mamem a s as b n bn
matchkey_str	article:1572817X:2021----::xlrncytllcrncpiaadlpoeteoehl3dmtoyhnlmty2hoo24er
hierarchy_sort_str	2021
bklnumber	33.38 33.18 33.23 53.54 52.88 33.72
publishDate	2021
allfields	10.1007/s11082-021-03057-w doi (DE-627)SPR044626525 (SPR)s11082-021-03057-w-e DE-627 ger DE-627 rakwb eng 500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl El-Mansy, M. A. M. verfasserin aut Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213 Suvitha, A. verfasserin aut Narayana, B. verfasserin aut Enthalten in Optical and quantum electronics Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 53(2021), 8 vom: 22. Juli (DE-627)312693869 (DE-600)2000642-1 1572-817X nnns volume:53 year:2021 number:8 day:22 month:07 https://dx.doi.org/10.1007/s11082-021-03057-w lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 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_2006 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_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 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_2119 GBV_ILN_2122 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 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_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.38 ASE 33.18 ASE 33.23 ASE 53.54 ASE 52.88 ASE 33.72 ASE AR 53 2021 8 22 07
spelling	10.1007/s11082-021-03057-w doi (DE-627)SPR044626525 (SPR)s11082-021-03057-w-e DE-627 ger DE-627 rakwb eng 500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl El-Mansy, M. A. M. verfasserin aut Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213 Suvitha, A. verfasserin aut Narayana, B. verfasserin aut Enthalten in Optical and quantum electronics Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 53(2021), 8 vom: 22. Juli (DE-627)312693869 (DE-600)2000642-1 1572-817X nnns volume:53 year:2021 number:8 day:22 month:07 https://dx.doi.org/10.1007/s11082-021-03057-w lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 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_2006 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_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 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_2119 GBV_ILN_2122 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 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_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.38 ASE 33.18 ASE 33.23 ASE 53.54 ASE 52.88 ASE 33.72 ASE AR 53 2021 8 22 07
allfields_unstemmed	10.1007/s11082-021-03057-w doi (DE-627)SPR044626525 (SPR)s11082-021-03057-w-e DE-627 ger DE-627 rakwb eng 500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl El-Mansy, M. A. M. verfasserin aut Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213 Suvitha, A. verfasserin aut Narayana, B. verfasserin aut Enthalten in Optical and quantum electronics Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 53(2021), 8 vom: 22. Juli (DE-627)312693869 (DE-600)2000642-1 1572-817X nnns volume:53 year:2021 number:8 day:22 month:07 https://dx.doi.org/10.1007/s11082-021-03057-w lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 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_2006 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_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 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_2119 GBV_ILN_2122 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 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_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.38 ASE 33.18 ASE 33.23 ASE 53.54 ASE 52.88 ASE 33.72 ASE AR 53 2021 8 22 07
allfieldsGer	10.1007/s11082-021-03057-w doi (DE-627)SPR044626525 (SPR)s11082-021-03057-w-e DE-627 ger DE-627 rakwb eng 500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl El-Mansy, M. A. M. verfasserin aut Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213 Suvitha, A. verfasserin aut Narayana, B. verfasserin aut Enthalten in Optical and quantum electronics Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 53(2021), 8 vom: 22. Juli (DE-627)312693869 (DE-600)2000642-1 1572-817X nnns volume:53 year:2021 number:8 day:22 month:07 https://dx.doi.org/10.1007/s11082-021-03057-w lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 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_2006 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_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 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_2119 GBV_ILN_2122 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 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_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.38 ASE 33.18 ASE 33.23 ASE 53.54 ASE 52.88 ASE 33.72 ASE AR 53 2021 8 22 07
allfieldsSound	10.1007/s11082-021-03057-w doi (DE-627)SPR044626525 (SPR)s11082-021-03057-w-e DE-627 ger DE-627 rakwb eng 500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl El-Mansy, M. A. M. verfasserin aut Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213 Suvitha, A. verfasserin aut Narayana, B. verfasserin aut Enthalten in Optical and quantum electronics Dordrecht [u.a.] : Springer Science + Business Media B.V, 1969 53(2021), 8 vom: 22. Juli (DE-627)312693869 (DE-600)2000642-1 1572-817X nnns volume:53 year:2021 number:8 day:22 month:07 https://dx.doi.org/10.1007/s11082-021-03057-w lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 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_2006 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_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 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_2119 GBV_ILN_2122 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 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_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.38 ASE 33.18 ASE 33.23 ASE 53.54 ASE 52.88 ASE 33.72 ASE AR 53 2021 8 22 07
language	English
source	Enthalten in Optical and quantum electronics 53(2021), 8 vom: 22. Juli volume:53 year:2021 number:8 day:22 month:07
sourceStr	Enthalten in Optical and quantum electronics 53(2021), 8 vom: 22. Juli volume:53 year:2021 number:8 day:22 month:07
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	MTTHPC FT-IR Band offsets NLO ADME indices Drug-like nature
dewey-raw	500
isfreeaccess_bool	false
container_title	Optical and quantum electronics
authorswithroles_txt_mv	El-Mansy, M. A. M. @@aut@@ Suvitha, A. @@aut@@ Narayana, B. @@aut@@
publishDateDaySort_date	2021-07-22T00:00:00Z
hierarchy_top_id	312693869
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id	SPR044626525
language_de	englisch
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author	El-Mansy, M. A. M.
spellingShingle	El-Mansy, M. A. M. ddc 500 bkl 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 misc MTTHPC misc FT-IR misc Band offsets misc NLO misc ADME indices misc Drug-like nature Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
authorStr	El-Mansy, M. A. M.
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topic_title	500 620 ASE 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 bkl Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) MTTHPC (dpeaa)DE-He213 FT-IR (dpeaa)DE-He213 Band offsets (dpeaa)DE-He213 NLO (dpeaa)DE-He213 ADME indices (dpeaa)DE-He213 Drug-like nature (dpeaa)DE-He213
topic	ddc 500 bkl 33.38 bkl 33.18 bkl 33.23 bkl 53.54 bkl 52.88 bkl 33.72 misc MTTHPC misc FT-IR misc Band offsets misc NLO misc ADME indices misc Drug-like nature
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title	Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
ctrlnum	(DE-627)SPR044626525 (SPR)s11082-021-03057-w-e
title_full	Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
author_sort	El-Mansy, M. A. M.
journal	Optical and quantum electronics
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author_browse	El-Mansy, M. A. M. Suvitha, A. Narayana, B.
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author-letter	El-Mansy, M. A. M.
doi_str_mv	10.1007/s11082-021-03057-w
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title_sort	exploring crystal, electronic, optical and nlo properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (mtthpc)
title_auth	Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
abstract	Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021
abstractGer	Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021
abstract_unstemmed	Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into %$alpha\left( { \arrow ,~\;2.44\,{\text{eV}}} \right)%$ and %$beta%$(↓, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells ($ MAPbI_{3} $/Au-nanospheres) that possess a band offset (%$3.1\,{\text{eV}}%$) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is %$14.15~10^{{ - 30~}} \,{\text{esu}}%$, surpass reference urea %$( \approx 40\beta _{{urea}} ,%%%$\beta _{{urea}} = ~0.3728~10^{{ - 30}} \,{\text{esu}}%$). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021
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container_issue	8
title_short	Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)
url	https://dx.doi.org/10.1007/s11082-021-03057-w
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author2	Suvitha, A. Narayana, B.
author2Str	Suvitha, A. Narayana, B.
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doi_str	10.1007/s11082-021-03057-w
up_date	2024-07-04T01:37:02.437Z
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score	7.4017096

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Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)

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