A Study of Donor-Acceptor in the Charge Transfer Molecular Complexes of Some Thiacrown Ethers with Dihalogen Molecules by DFT Method

Mohsen Oftadeh; Mitra Moghadary; Mohammad Solimannejad; Abolfazl Semnani

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A Study of Donor-Acceptor in the Charge Transfer Molecular Complexes of Some Thiacrown Ethers with Dihalogen Molecules by DFT Method

机译：DFT法研究某些硫杂冠醚与二卤分子的电荷转移分子配合物中的供体-受体

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The molecular complexes of 1,3,5-trithiane, (TT), tetrathia-8-crown-4, (TT8C4), and trithia-9-crown-3 , (TT9C3) with dihalogens in the ground state were investigated in the gas and dicholoromethane phases using B3LYP method and 6-31G** and 6-31+G** bases

机译：研究了1,3,5-trithiane（TT），tetrathia-8-crown-4（TT8C4）和trithia-9-crown-3（TT9C3）与二卤化物在基态下的分子复合物。使用B3LYP方法和6-31G **和6-31 + G **碱的气相和二氯甲烷

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《Acta Chimica Slovenica 》 |2013年第1期| 共10页
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Mohsen Oftadeh; Mitra Moghadary; Mohammad Solimannejad; Abolfazl Semnani;
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中图分类化学 ;
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1. A Study of Donor-Acceptor in the Charge Transfer Molecular Complexes of Some Thiacrown Ethers with Dihalogen Molecules by DFT Method [J] . Mohsen Oftadeh, Mitra Moghadary, Mohammad Solimannejad Acta Chimica Slovenica . 2013 ,第1期

机译：DFT法研究某些硫杂冠醚与二卤分子的电荷转移分子配合物中的供体-受体
2. Charge Transfer in Some Complexes of Crown Ether and of Thiacrown Ether with Dihalogens: DFT Study [J] . Mohsen Oftadeh, Ali Kabiri Acta Chimica Slovenica . 2014 ,第4期

机译：DFT研究：冠醚和噻冠醚与二卤素的某些配合物中的电荷转移
3. Charge Transfer in Some Complexes of Crown Ether and of Thiacrown Ether with Dihalogens: DFT Study [J] . Mohsen Oftadeh, Ali Kabiri Acta Chimica Slovenica . 2013 ,第4期

机译：DFT研究：冠醚和噻冠醚与二卤素的某些复合物中的电荷转移
4. Effects of energy offsets and molecular packing on exciton and charge carrier dynamics in small-molecule donor-acceptor composites [C] . Keshab Paudel, Brian Johnson, Afina Neunzert, Optical processes in organic materials and nanostructures II . 2013

机译：能量抵消和分子堆积对小分子供体-受体复合物中激子和电荷载流子动力学的影响
5. Organic charge transfer complexes and an open -shell organic radical studied by inelastic neutron scattering spectroscopy and DFT methods [D] . Ciezak, Jennifer A. 2004

机译：用非弹性中子散射光谱法和DFT方法研究有机电荷转移配合物和开壳有机自由基
6. On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case of study [O] . Agnieszka Zawada, Anna Kaczmarek-Kędziera, Wojciech Bartkowiak -1

机译：DFT方法在预测分子复合物相互作用诱导的电学性质方面的潜在应用。分子氢键链的研究
7. Non-spectrscopic Methods for Studying Gas Phase Charge Transfer Complexes. Diethyl Ether . I2 and Trimethylamine . SO2. [O] . Just Grundnes, Sherril D. Christian, Venghout Cheam, 1970

机译：用于研究气相电荷转移络合物的非光谱方法。乙醚。 I2和三甲胺。 SO2。

A Study of Donor-Acceptor in the Charge Transfer Molecular Complexes of Some Thiacrown Ethers with Dihalogen Molecules by DFT Method

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