| 000 | 03989nlm1a2200469 4500 | ||
|---|---|---|---|
| 001 | 667766 | ||
| 005 | 20231030042125.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\38977 | ||
| 035 | _aRU\TPU\network\37518 | ||
| 090 | _a667766 | ||
| 100 | _a20220420a2022 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aUS | ||
| 135 | _adrcn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aDiaryliodonium Tetracyanidometallates Self-Assemble into Halogen-Bonded Square-Like Arrays _fV. V. Suslonov, N. S. Soldatova, P. S. Postnikov [et al.] |
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| 203 |
_aText _celectronic |
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| 300 | _aTitle screen | ||
| 330 | _aTwo diphenyliodonium tetracyanidometallates, [Ph2I]2[M(CN)4] (M = Ni and Pd), were prepared through anion metathesis. Their X-ray structural analyses show that the structure-defining contact for both crystals is the charge-assisted I···N halogen bond (HaB) formed between the I atom of the iodonium cations and the N atoms of the CN– ligands. These HaBs assemble the bidentate and 90°-orienting HaB donor Ph2I+ and the tetradentate, square planar, and 90/180°-orienting HaB acceptors [M(CN)4]2– into supramolecular rectangles, which further assemble into infinite chains by sharing the vertexes occupied by the [M(CN)4]2– anions. The noncovalent nature of these contacts was confirmed by density functional theory calculations (M06/def2-TZVP) followed by combined topological analysis of the electron density distribution in the quantum theory of the atoms-in-molecules approach and noncovalent interaction analysis. The philicities of the HaB partners were further verified by the analysis of electron localization function projections, electron density/electrostatic potential profiles along the I···N bond paths, natural bond orbital analysis, and the natural population analysis or atoms-in-molecules charge sums in model systems. | ||
| 338 |
_bРоссийский фонд фундаментальных исследований _d19-33-90059 |
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| 461 | _tCrystal Growth & Design | ||
| 463 |
_tVol. 22, iss. 4 _v[10 p.] _d2022 |
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| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _aгалогены | |
| 610 | 1 | _aрентгеноструктурный анализ | |
| 610 | 1 | _aэлектроны | |
| 610 | 1 | _aгалогенные связи | |
| 610 | 1 | _aкристаллы | |
| 610 | 1 | _aмодельные системы | |
| 701 | 1 |
_aSuslonov _bV. V. _cChemist _cJunior Researcher of Tomsk Polytechnic University _f1992- _gVitaly Valerjevich _2stltpush _3(RuTPU)RU\TPU\pers\47036 |
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| 701 | 1 |
_aSoldatova _bN. S. _corganic chemist _cengineer of Tomsk Polytechnic University _f1992- _gNataliya Sergeevna _2stltpush _3(RuTPU)RU\TPU\pers\36289 |
|
| 701 | 1 |
_aPostnikov _bP. S. _corganic chemist _cAssociate Professor of Tomsk Polytechnic University, Candidate of chemical sciences _f1984- _gPavel Sergeevich _2stltpush _3(RuTPU)RU\TPU\pers\31287 |
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| 701 | 1 |
_aResnati _bD. P. _gDzhuzeppe Paolo |
|
| 701 | 1 |
_aKukushkin _bV. Yu. _gVadim Yurjevich |
|
| 701 | 1 |
_aIvanov _bD. M. _cChemist _cSenior researcher of Tomsk Polytechnic University, Candidate of chemical sciences _f1992- _gDaniil Mikhaylovich _2stltpush _3(RuTPU)RU\TPU\pers\47038 |
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| 701 | 1 |
_aBokach _bN. A. _cChemist _cLeading researcher of Tomsk Polytechnic University, Doctor of chemical sciences _f1976- _gNadezhda Arsenjevna _2stltpush _3(RuTPU)RU\TPU\pers\47040 |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет _bИсследовательская школа химических и биомедицинских технологий _bМеждународная научно-исследовательская лаборатория "Невалентные взаимодействия в химии материалов" _h8903 _2stltpush _3(RuTPU)RU\TPU\col\27854 |
| 801 | 2 |
_aRU _b63413507 _c20220420 _gRCR |
|
| 856 | 4 | _uhttps://doi.org/10.1021/acs.cgd.2c00175 | |
| 942 | _cCF | ||