Literature DB >> 20556292

pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction.

Guang-Jiu Zhao1, Ke-Li Han.   

Abstract

In this work, a new model compound, the twisted intramolecular charge transfer (TICT) excited state of Milrinone (MIR), has been theoretically presented. MIR exists in different tautomeric and ionic forms in aqueous solution with different pH values. The TICT excited state properties for various forms of MIR are demonstrated to be significantly different and controlled by the pH values of MIR in aqueous solution.

Entities:  

Year:  2010        PMID： 20556292     DOI： 10.1039/b924549a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


  11 in total

1.  Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid.

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Journal:  J Mol Model       Date:  2011-06-03       Impact factor: 1.810

2.  A density functional theory/time-dependent density functional theory study of the structure-related photochemical properties of hydroxylated polybrominated diphenyl ethers and methoxylated polybrominated diphenyl ethers and metal ion effects.

Authors:  Se Wang; Shuwen Wang; Shaheen Shah; Longyan Li; Hao Fang; Ce Hao
Journal:  Environ Sci Pollut Res Int       Date:  2020-01-08       Impact factor: 4.223

3.  Novel quadruple fluorescence properties of two benzoylthiourea isomers.

Authors:  Wen Yang; Wei Zhu; Weiqun Zhou; Huanhuan Liu; Yunlong Xu; Jianfen Fan
Journal:  J Fluoresc       Date:  2012-06-19       Impact factor: 2.217

4.  DFT/TDDFT insights into effects of dissociation and metal complexation on photochemical behavior of enrofloxacin in water.

Authors:  Se Wang; Zhuang Wang; Ce Hao; Willie J G M Peijnenburg
Journal:  Environ Sci Pollut Res Int       Date:  2018-09-03       Impact factor: 4.223

5.  Time-dependent density functional theory study of the excited-state dihydrogen bonding: clusters of 2-pyridone with diethylmethylsilane and triethylgermanium.

Authors:  Ning-Ning Wei; Ce Hao; Jiao-Jie Tan; Guangyan Zhao; Ruizhou Li; Zhilong Xiu; Jieshan Qiu
Journal:  J Mol Model       Date:  2010-11-24       Impact factor: 1.810

6.  Calixarene building block bis(2-hydroxyphenyl)methane (2HDPM) and hydrogen-bonded 2HDPM-H₂O complex in electronic excited state.

Authors:  Se Wang; Ce Hao; Zhanxian Gao; Jingwen Chen; Jieshan Qiu
Journal:  J Mol Model       Date:  2013-01-20       Impact factor: 1.810

7.  The new competitive mechanism of hydrogen bonding interactions and transition process for the hydroxyphenyl imidazo [1, 2-a] pyridine in mixed liquid solution.

Authors:  Yongqing Li; Yunfan Yang; Yong Ding
Journal:  Sci Rep       Date:  2017-05-08       Impact factor: 4.379

8.  Exploring the excited state behavior for 2-(phenyl)imidazo[4,5-c]pyridine in methanol solvent.

Authors:  Dapeng Yang; Min Jia; Jingyuan Wu; Xiaoyan Song
Journal:  Sci Rep       Date:  2017-09-15       Impact factor: 4.379

9.  Theoretical Study of the ESIPT Process for a New Natural Product Quercetin.

Authors:  Yunfan Yang; Jinfeng Zhao; Yongqing Li
Journal:  Sci Rep       Date:  2016-08-30       Impact factor: 4.379

10.  Spectroscopic and theoretical studies of fluorescence effects induced by the ESIPT process in a new derivative 2-Hydroxy-N-(2-phenylethyl)benzamide - Study on the effects of pH and medium polarity changes.

Authors:  Agnieszka Niemczynowicz; Iwona Budziak; Sławomir Kulesza; Andrzej Górecki; Marcin Makowski; Dariusz Karcz; Karolina Starzak; Bożena Gładyszewska; Janusz Podleśny; Agnieszka I Piotrowicz-Cieślak; Arkadiusz Matwijczuk
Journal:  PLoS One       Date:  2020-02-25       Impact factor: 3.240
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