Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)

The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractom...
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Autor*in:	Kolev, Iliyan [verfasserIn] Dimova, Tanya [verfasserIn] Iliev, Ivan [verfasserIn] Rogozherov, Marin [verfasserIn] Bodensteiner, Michael [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity

Übergeordnetes Werk:	Enthalten in: Journal of molecular structure - New York, NY [u.a.] : Elsevier, 1967, 1294
Übergeordnetes Werk:	volume:1294

DOI / URN:	10.1016/j.molstruc.2023.136388

Katalog-ID:	ELV06501197X

Internformat


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520			\|a The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven.
650		4	\|a Iodine-silver nitrate
650		4	\|a Crystal structure
650		4	\|a Vibrational analysis
650		4	\|a UV analysis
650		4	\|a Phototoxicity
700	1		\|a Dimova, Tanya \|e verfasserin \|4 aut
700	1		\|a Iliev, Ivan \|e verfasserin \|0 (orcid)0000-0002-2480-5116 \|4 aut
700	1		\|a Rogozherov, Marin \|e verfasserin \|4 aut
700	1		\|a Bodensteiner, Michael \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Journal of molecular structure \|d New York, NY [u.a.] : Elsevier, 1967 \|g 1294 \|h Online-Ressource \|w (DE-627)302469745 \|w (DE-600)1491504-2 \|w (DE-576)255266626 \|x 0022-2860 \|7 nnns
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912			\|a GBV_ILN_110
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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_2034
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_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2106
912			\|a GBV_ILN_2110
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2152
912			\|a GBV_ILN_2153
912			\|a GBV_ILN_2190
912			\|a GBV_ILN_2232
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2470
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_4035
912			\|a GBV_ILN_4037
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912			\|a GBV_ILN_4125
912			\|a GBV_ILN_4242
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912			\|a GBV_ILN_4307
912			\|a GBV_ILN_4313
912			\|a GBV_ILN_4322
912			\|a GBV_ILN_4323
912			\|a GBV_ILN_4324
912			\|a GBV_ILN_4326
912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4393
912			\|a GBV_ILN_4700
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Indexfelder

author_variant	i k ik t d td i i ii m r mr m b mb
matchkey_str	article:00222860:2023----::utefnigcnenn2did35rmto
hierarchy_sort_str	2023
bklnumber	35.00
publishDate	2023
allfields	10.1016/j.molstruc.2023.136388 doi (DE-627)ELV06501197X (ELSEVIER)S0022-2860(23)01478-3 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Kolev, Iliyan verfasserin (orcid)0000-0001-5523-3555 aut Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven. Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity Dimova, Tanya verfasserin aut Iliev, Ivan verfasserin (orcid)0000-0002-2480-5116 aut Rogozherov, Marin verfasserin aut Bodensteiner, Michael verfasserin aut Enthalten in Journal of molecular structure New York, NY [u.a.] : Elsevier, 1967 1294 Online-Ressource (DE-627)302469745 (DE-600)1491504-2 (DE-576)255266626 0022-2860 nnns volume:1294 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 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_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 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_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 1294
spelling	10.1016/j.molstruc.2023.136388 doi (DE-627)ELV06501197X (ELSEVIER)S0022-2860(23)01478-3 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Kolev, Iliyan verfasserin (orcid)0000-0001-5523-3555 aut Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven. Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity Dimova, Tanya verfasserin aut Iliev, Ivan verfasserin (orcid)0000-0002-2480-5116 aut Rogozherov, Marin verfasserin aut Bodensteiner, Michael verfasserin aut Enthalten in Journal of molecular structure New York, NY [u.a.] : Elsevier, 1967 1294 Online-Ressource (DE-627)302469745 (DE-600)1491504-2 (DE-576)255266626 0022-2860 nnns volume:1294 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 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_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 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_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 1294
allfields_unstemmed	10.1016/j.molstruc.2023.136388 doi (DE-627)ELV06501197X (ELSEVIER)S0022-2860(23)01478-3 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Kolev, Iliyan verfasserin (orcid)0000-0001-5523-3555 aut Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven. Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity Dimova, Tanya verfasserin aut Iliev, Ivan verfasserin (orcid)0000-0002-2480-5116 aut Rogozherov, Marin verfasserin aut Bodensteiner, Michael verfasserin aut Enthalten in Journal of molecular structure New York, NY [u.a.] : Elsevier, 1967 1294 Online-Ressource (DE-627)302469745 (DE-600)1491504-2 (DE-576)255266626 0022-2860 nnns volume:1294 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 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_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 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_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 1294
allfieldsGer	10.1016/j.molstruc.2023.136388 doi (DE-627)ELV06501197X (ELSEVIER)S0022-2860(23)01478-3 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Kolev, Iliyan verfasserin (orcid)0000-0001-5523-3555 aut Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven. Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity Dimova, Tanya verfasserin aut Iliev, Ivan verfasserin (orcid)0000-0002-2480-5116 aut Rogozherov, Marin verfasserin aut Bodensteiner, Michael verfasserin aut Enthalten in Journal of molecular structure New York, NY [u.a.] : Elsevier, 1967 1294 Online-Ressource (DE-627)302469745 (DE-600)1491504-2 (DE-576)255266626 0022-2860 nnns volume:1294 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 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_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 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_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 1294
allfieldsSound	10.1016/j.molstruc.2023.136388 doi (DE-627)ELV06501197X (ELSEVIER)S0022-2860(23)01478-3 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Kolev, Iliyan verfasserin (orcid)0000-0001-5523-3555 aut Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven. Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity Dimova, Tanya verfasserin aut Iliev, Ivan verfasserin (orcid)0000-0002-2480-5116 aut Rogozherov, Marin verfasserin aut Bodensteiner, Michael verfasserin aut Enthalten in Journal of molecular structure New York, NY [u.a.] : Elsevier, 1967 1294 Online-Ressource (DE-627)302469745 (DE-600)1491504-2 (DE-576)255266626 0022-2860 nnns volume:1294 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 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_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 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_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 1294
language	English
source	Enthalten in Journal of molecular structure 1294 volume:1294
sourceStr	Enthalten in Journal of molecular structure 1294 volume:1294
format_phy_str_mv	Article
bklname	Chemie: Allgemeines
institution	findex.gbv.de
topic_facet	Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity
dewey-raw	540
isfreeaccess_bool	false
container_title	Journal of molecular structure
authorswithroles_txt_mv	Kolev, Iliyan @@aut@@ Dimova, Tanya @@aut@@ Iliev, Ivan @@aut@@ Rogozherov, Marin @@aut@@ Bodensteiner, Michael @@aut@@
publishDateDaySort_date	2023-01-01T00:00:00Z
hierarchy_top_id	302469745
dewey-sort	3540
id	ELV06501197X
language_de	englisch
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author	Kolev, Iliyan
spellingShingle	Kolev, Iliyan ddc 540 bkl 35.00 misc Iodine-silver nitrate misc Crystal structure misc Vibrational analysis misc UV analysis misc Phototoxicity Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)
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topic_title	540 VZ 35.00 bkl Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II) Iodine-silver nitrate Crystal structure Vibrational analysis UV analysis Phototoxicity
topic	ddc 540 bkl 35.00 misc Iodine-silver nitrate misc Crystal structure misc Vibrational analysis misc UV analysis misc Phototoxicity
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title	Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)
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title_full	Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)
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title_sort	further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (part ii)
title_auth	Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)
abstract	The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven.
abstractGer	The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven.
abstract_unstemmed	The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven.
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title_short	Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)
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author2	Dimova, Tanya Iliev, Ivan Rogozherov, Marin Bodensteiner, Michael
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doi_str	10.1016/j.molstruc.2023.136388
up_date	2024-07-06T21:31:02.621Z
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Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II)

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