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Title Chemistry - A European Journal Issue data Weinheim : Wiley-VCH , 2024 ISSN 0947-6539 (print)1521-3765 (online) Form. Descr. časopisy - journals, elektronické časopisy - electronic journals Year, No. Vol. 30 no. 8 (2024) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2024: Enhancing the potential of fused heterocycle-based triarylhydrazone photoswitches 
journal
Title Enhancing the potential of fused heterocycle-based triarylhydrazone photoswitches Author info Lea Hegedüsová ... [et al.] Author Hegedüsová Lea (10%)
Co-authors Blaise Nadine (9%)
Pašteka Lukáš Felix (9%)
Budzák Šimon 1982- (9%) UMBFP08 - Katedra chémie
Medveď Miroslav 1971- (9%) UMBFP08 - Katedra chémie
Filo Juraj (9%)
Mravec Bernard (9%)
Slavov Chavdar (9%)
Wachtveitl Josef (9%)
Grabarz Anna M. (9%)
Cigáň Marek (9%)
Source document Chemistry - A European Journal. Vol. 30, no. 8 (2024), pp. 1-8. - Weinheim : Wiley-VCH, 2024 Keywords hydrazóny - hydrazones benzotiazol - benzothiazole molekulové fotoprepínače - molecular photoswitches Form. Descr. články - journal articles Language English Country Germany URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 54350 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
article
Title Chemistry - A European Journal Issue data Weinheim : Wiley-VCH , 2022 ISSN 0947-65391521-3765 Form. Descr. časopisy - journals Year, No. Vol. 28 no. 26 (2022) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2022: Mechanistic insights into the photoisomerization of N,N′-disubstituted indigos journal
Title Mechanistic insights into the photoisomerization of N,N′-disubstituted indigos Author info Šimon Budzák, Justina Jovaišaitė ... [et al.] Author Budzák Šimon 1982- (15%) UMBFP08 - Katedra chémie
Co-authors Jovaišaitė Justina (15%)
Huang Chung-Yang (15%)
Baronas Paulius (10%)
Tulaitė Kamilė (10%)
Juršėnas Saulius (10%)
Jacquemin Denis (10%)
Hecht Stefan (15%)
Source document Chemistry - A European Journal. Vol. 28, no. 26 (2022), pp. [1-9]. - Weinheim : Wiley-VCH, 2022 Keywords fotoprepínače - photoswitches počítačová chémia farbivá pigmenty Form. Descr. články - journal articles Language English Country Germany URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 52655 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title Chemistry - A European Journal Issue data Weinheim : Wiley-VCH , 2017 ISSN 0947-65391521-3765 Form. Descr. časopisy - journals Year, No. Vol. 23 no. 17 (2017) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2017: Exploring the solvatochromism of betaine 30 with ab initio tools journal
Title Chemistry - A European Journal Issue data Weinheim : Wiley-VCH , 2017 ISSN 0947-65391521-3765 Form. Descr. časopisy - journals Year, No. Vol. 23 no. 30 (2017) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2017: On the fine-tuning of the excited-state intramolecular proton transfer process in 2-benzazole dyes journal
Title On the fine-tuning of the excited-state intramolecular proton transfer (ESIPT) process in 2-(2 '-hydroxybenzofuran)benzazole (HBBX) dyes Author info Elodie Heyer, Karima Benelhadj ... [et al.] Author Heyer Elodie (16%)
Co-authors Benelhadj Karima (16%)
Budzák Šimon 1982- (16%) UMBFP08 - Katedra chémie
Jacquemin Denis (16%)
Massue Julien (16%)
Ulrich Gilles (20%)
Source document Chemistry - A European Journal. Vol. 23, no. 30 (2017), pp. 7324-7336. - Weinheim : Wiley-VCH, 2017 Keywords excitované stavy prenos protónu Language English Country Germany systematics 54 URL Plný text pre registrovaných používateľov Public work category ADC No. of Archival Copy 41990 Repercussion category HUANG, Quan - GUO, Qiang - LAN, Jingbo - YOU, Jingsong. Tuning the dual emission of keto/enol forms of excited-state intramolecular proton transfer (ESIPT) emitters via intramolecular charge transfer (ICT). In Dyes and pigments. ISSN 0143-7208, 2021, vol. 193, art. no. 109497, pp. 1-10.
CHANSEN, Warinthon - YU, Jen-Shiang K. - KUNGWAN, Nawee. A TD-DFT molecular screening for fluorescence probe based on excited-state intramolecular proton transfer of 2 '-hydroxychalcone derivatives. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2021, vol. 410, art. no. 113165, pp. 1-10.
PARK, Jong Min - NAM, Seung Han - HONG, Kyeong-Im - JEUN, Young Eun - AHN, Hyun S. - JANG, Woo-Dong. Stimuli-responsive fluorescent dyes for electrochemically tunable multi-color-emitting devices. In Sensors and actuators B : chemical. ISSN 0925-4005, 2021, vol. 332, art. no. 129534, pp. 1-8.
DING, Sha - XU, Aixiang - SUN, Aokui - XIA, Yong - LIU, Yuejun. Substituent effect on ESIPT and hydrogen bond mechanism of N-(8-quinolyl) salicylaldimine : a detailed theoretical exploration. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2021, vol. 245, art. no. 118937, pp. 1-7.
ZHOU, Jie - HUANG, Manna - ZHU, Xinhai - WAN, Yiqian. One-pot synthesis of dual-state emission (DSE) luminogens containing the V-shape furo[2,3-b]furan scaffold. In Chinese chemical letters. ISSN 1001-8417, 2021, vol. 32, no. 1, pp. 445-448.
GOEBEL, Dominik - RUSCH, Pascal - DUVINAGE, Daniel - BIGALL, Nadja C. - NACHTSHEIM, Boris J. Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores. In Chemical communications. ISSN 1359-7345, 2020, vol. 56, no. 98, pp. 15430-15433.
CZERNEL, Grzegorz - BUDZIAK, Iwona - ONISZCZUK, Anna - KARCZ, Dariusz - PUSTULA, Katarzyna - GORECKI, Andrzej - MATWIJCZUK, Alicja - GLADYSZEWSKA, Bozena - GAGOS, Mariusz - NIEWIADOMY, Andrzej - MATWIJCZUK, Arkadiusz. ESIPT-related origin of dual fluorescence in the selected model 1,3,4-thiadiazole derivatives. In Molecules. ISSN 1420-3049, 2020, vol. 25, no. 18, pp. 1-22.
DWIVEDI, Bhupendra Kumar - SINGH, Vishwa Deepak - PAITANDI, Rajendra Prasad - PANDEY, Daya Shankar. Controlling aggregation and excited-state intramolecular proton transfer in BODIPYs by incorporation of 2-(2-hydroxyphenyl)quinazoline and variation of substituents. In Journal of physical chemistry C. ISSN 1932-7447, 2020, vol. 124, no. 28, pp. 15523-15532.
ILA - DANI, Reshmi - VERMA, Surya Pratap - KRISHNAMOORTHY, G. The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole. In Photochemical and photobiological sciences. ISSN 1474-905X, 2020, vol. 19, no. 6, pp. 844-853.
SADEK, Omar - PERRIN, David M. - GRAS, Emmanuel. Straightforward convergent access to 2-arylated polysubstituted benzothiazoles. In Tetrahedron. ISSN 0040-4020, 2020, vol. 76, no. 14, pp. 1-8.
CHEN, Si-Hong - JIANG, Kai - XIAO, Ying - CAO, Xi-Ying - ARULKUMAR, Mani - WANG, Zhao-Yang. Recent endeavors on design, synthesis, fluorescence mechanisms and applications of benzazole-based molecular probes toward miscellaneous species. In Dyes and pigments. ISSN 0143-7208, 2020, vol. 175, art. no. 108157, pp. 1-23.
NING, Cai - XIAO, Chuanyun - LU, Ruifeng - ZHOU, Panwang. Whether the excited state intramolecular proton transfer of 1-hydroxy-2-acetonaphthone will happen? In Journal of luminescence. ISSN 0022-2313, 2020, vol. 217, art. no. 116825, pp. 1-7.
SURNAN, G. R. - BUBBLY, S. G. - GUDENNAVAR, S. B. - GAYATHRI, V. Benzimidazole and benzothiazole conjugated Schiff base as fluorescent sensors for Al3+ and Zn2+. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2019, vol. 382, art. no. 111947, pp. 1-8.
EBINA, Masanori - KONDO, Yusuke - IWASA, Takeshi - TAKETSUGU, Tetsuya. Low-lying excited states of hqxcH and Zn-hqxc complex : toward understanding intramolecular proton transfer emission. In Inorganic chemistry. ISSN 0020-1669, 2019, vol. 58, no. 7, pp. 4686-4698.
HILL, Nicholas S. - COOTE, Michelle L. A comparison of methods for theoretical photochemistry : applications, successes and challenges. In Annual reports in computational chemistry. Amsterdam : Elsevier, 2019. Vol. 15. ISBN 978-0-12-817120-2, pp. 203-285.
HUANG, Manna - ZHOU, Jie - XU, Ke - ZHU, Xinhai - WAN, Yiqian. Enhancement of the excited-state intramolecular proton transfer process to produce all-powerful DSE molecules for bridging the gap between ACQ and AIE. In Dyes and pigments. ISSN 0143-7208, 2019, vol. 160, pp. 839-847.
YIN, Hang - ZHANG, Yu-Mo - ZHAO, Hui-Fang - YANG, GuoJian - SHI, Ying - ZHANG, Sean Xiao-An - DING, Da-Jun. Optical anti-counterfeiting of a single molecule by two solvents based on intra- and intermocular excited state proton transfer mechanisms. In Dyes and pigments. ISSN 0143-7208, 2018, vol. 159, pp. 506-512.
MEISNER, Quinton J. - YOUNES, Ali H. - YUAN, Zhao - SREENATH, Kesavapillai - HURLEY, Joseph J. M. - ZHU, Lei. Excitation-dependent multiple fluorescence of a substituted 2-(2 '-hydroxyphenyl)benzoxazole. In Journal of physical chemistry A. ISSN 1089-5639, 2018, vol. 122, no. 47, pp. 9209-9223.
CHEN, Liyan - PARK, Sang Jun - WU, Di - KIM, Hwan Myung - YOON, Juyoung. A two-photon ESIPT based fluorescence probe for specific detection of hypochlorite. In Dyes and pigments. ISSN 0143-7208, 2018, vol. 158, pp. 526-532.
DWIVEDI, Bhupendra Kumar - SINGH, Vishwa Deepak - PAITANDI, Rajendra Prasad - PANDEY, Daya Shankar. Substituent-directed ESIPT-coupled aggregation-induced emission in near-infrared-emitting quinazoline derivatives. In ChemPhysChem. ISSN 1439-4235, 2018, vol. 19, no. 20, pp. 2672-2682.
ZHOU, Panwang - ZHAO, Li. Accurate description of excited state intramolecular proton transfer that involves zwitterionic state using optimally tuned range-separated time-dependent density functional theory. In International journal of quantum chemistry. ISSN 0020-7608, 2018, vol. 118, no. 15, pp. 1-10.
WANG, Jiao - YU, Jie-Hui - YANG, Qing-Feng - XU, Ji-Qing. New thiocyanatocadmate and halo-thiocyanatocadmates modified by imidazole or triazole derivatives : synthesis, structural characterization, and photoluminescence property. In Journal of cluster science. ISSN 1040-7278, 2018, vol. 29, no. 3, pp. 499-508.
MAKHAL, Subhash Chandra - BHATTACHARYYA, Arghyadeep - GHOSH, Soumen - GUCHHAIT, Nikhil. A spectroscopic exploration of the influence of charge donor group on ESIPT process and its consequences in a salicylimine. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2018, vol. 358, pp. 138-146.
ZHAO, Jinyu - PENG, Jiang - CHEN, Peng - WANG, Haoran - XUE, Pengchong - LU, Ran. Mechanofluorochromism of difluoroboron beta-ketoiminate boron complexes functionalized with benzoxazole and benzothiazole. In Dyes and pigments. ISSN 0143-7208, 2018, vol. 149, pp. 276-283.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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Title Exploring the solvatochromism of betaine 30 with ab initio tools Subtitle from accurate gas-phase calculations to implicit and explicit solvation models Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Co-authors Jaunet-Lahary Titouan (16%)
Laurent Adéle D. (16%)
Laurence Christian (16%)
Medveď Miroslav 1971- (16%) UMBFP08 - Katedra chémie
Jacquemin Denis (16%)
Source document Chemistry - A European Journal. Vol. 23, no. 17 (2017), pp. 4108-4119. - Weinheim : Wiley-VCH, 2017 Keywords solvatochromism solvatochromizmus betain 30 Language English Country Germany Annotation Betaine 30 is known for the extraordinary solvatochromism of its visible absorption band that goes from lambda=882 nm in tetrachloromethane to lambda=453 nm in water (Delta lambda=similar to 429nm). This large blueshift partly originates from a dramatic decrease of the dipole moment upon excitation. Despite several decades of research, experimental works still disagree on the exact value of the excess dipole moment, the orientation of the dipole moment of the excited-state, the role and amplitude of the change of the polarisability upon excitation as well as on the gas-phase excitation energy. In this work, we present an in-depth theoretical investigation. First, we carefully tested several levels of theory on the model system and next calculated the electric properties of betaine 30 at the CC2 level. Our best estimates are Delta mu = -7 D for the excess dipole moment, that is, a significant decrease but no change of direction, a Delta alpha value of -120 a. u. and a gas-phase vertical excitation energy of 1.127 eV. The implicit solvation models are able to reproduce the experimental trends, with large correlation coefficients for non-hydrogen-bond-donating solvents, the smallest rootmean-square deviation error being reached with the vertical excitation model (VEM). The explicit effective fragment potential method combined with time-dependent density functional theory (TD-DFT) in a QM/MM framework provides accurate estimates for hydrogen-bond-donating solvents, whereas the addition of a dispersion correction is needed to restore the correct solvatochromic direction in tetrachloromethane. Public work category ADC No. of Archival Copy 41297 Repercussion category BRANDAO, Idney - FRANCO, Leandro R. - FONSECA, Tertius L. - CASTRO, Marcos A. - GEORG, Herbert C. Confirming the relationship between first hyperpolarizability and the bond length alternation coordinate for merocyanine dyes. In Journal of chemical physics. ISSN 0021-9606, 2017, vol. 146, no. 22.
CATALAN, Javier - REICHARDT, Christian. Solvation by glycerol at temperatures from 353 to 77 K: its solvatochromic characterization and use to block the molecular structure of conformationally flexible structures. In Journal of physical chemistry A. ISSN 1089-5639, 2017, vol. 121, no. 38, pp. 7114-7120.
PRAMOD, A. G. - RENUKA, G. G. - SHIVASHANKAR, K. - BOREGOWDA, P. - NADAF, Y. F. Solvent influence on the photophysical properties of 4-(2-oxo-2H-benzo[h]chromen-4-ylmethoxy)-benzaldehyde. In AIP conference proceedings : 2nd international conference on condensed matter and applied physics, Bikaner, 24th-25th November 2017. Melville : American institute of physics, 2018. ISBN 978-0-7354-1648-2, pp. [1-4].
MERA-ADASME, Raul - DOMINGUEZ, Moises. A computationally-derived model for the solvatochromism of p-phenolates with high predictive power. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 26, pp. 18127-18132.
LI, Kai - SU, Xi - WANG, Yixuan - TAO, Furong - CUI, Yuezhi - ZHANG, Huayong - LI, Tianduo. D-pi-a type barbituric derivatives : aggregation induced emission, mechanofluorochromic and solvatochromic properties. In Journal of luminescence. ISSN 0022-2313, 2018, vol. 203, pp. 50-58.
MERA-ADASME, Raul - CAROLI REZENDE, Marcos - DOMINGUEZ, Moises. On the physical-chemical nature of solvent polarizability and dipolarity. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2020, vol. 229, art. no. 118008, pp. 1-6.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised