| 000 | 04323nlm1a2200505 4500 | ||
|---|---|---|---|
| 001 | 666314 | ||
| 005 | 20231030042033.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\37518 | ||
| 035 | _aRU\TPU\network\37061 | ||
| 090 | _a666314 | ||
| 100 | _a20211216a2021 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aUS | ||
| 135 | _adrcn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aDiaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving [mu]3-I···(Cl,Cl,Pt) Halogen Bond _fV. V. Suslonov, N. S. Soldatova, D. M. Ivanov [et al.] |
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| 203 |
_aText _celectronic |
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| 300 | _aTitle screen | ||
| 320 | _a[References: 5 tit.] | ||
| 330 | _aSynthesis and X-ray characterization of the four diaryliodonium tetrachloroplatinates(II) [Ar1Ar2I]2[PtCl4] (Ar1/Ar2=Ph/Ph (1), 4-Cl-C6H4/2,4,6-(MeO)3C6H2 (2), 4-Me-C6H4/2,4,6-(MeO)3C6H2 (3), Ph/2,4,6-(MeO)3C6H2 (4)) allowed the deterimination of several types of unconventional halogen-bond (HaB) patterns. The first example of a metal-involved trifurcated four-center [mu]3-X···(X′,X′,M) HaB is represented by the metal-involving I···Pt HaB (the structure of 4) with iodonium cations acting as HaB donors, which is supported by two weak I···Cl HaB contacts. The structures of 1-3 display bifurcated three-center [mu]2-I···(Cl,Cl) HaBs with iodonium cations. DFT calculations were used to estimate the energetic features of the two types of HaB contacts. Molecular electrostatic potential (MEP) surfaces and noncovalent interaction plot index (NCIPlot) computational tools were used to evaluate the [sigma]-holes and characterize the HaBs, respectively, in all structures. | ||
| 338 |
_bРоссийский фонд фундаментальных исследований _d19-33-90059 |
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| 461 | _tCrystal Growth & Design | ||
| 463 |
_tVol. 21, iss. 9 _v[Р. 5360-5372] _d2021 |
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| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _aсинтез | |
| 610 | 1 | _aрентгеновские исследования | |
| 610 | 1 | _aгалогены | |
| 610 | 1 | _aэнергетические характеристики | |
| 610 | 1 | _aэлектростатические потенциалы | |
| 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 |
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| 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 |
_aGalmes _bB. _gBartomeu |
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| 701 | 1 |
_aFrontera _bA. _gAntonio |
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| 701 | 1 |
_aResnati _bD. P. _cChemist _cThe Head of the Laboratory of Tomsk Polytechnic University, PhD _f1955- _gDzhuzeppe Paolo _2stltpush _3(RuTPU)RU\TPU\pers\47042 |
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| 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 |
_aKukushkin _bV. Yu. _gVadim Yurjevich |
|
| 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 _c(2017- ) _h8120 _2stltpush _3(RuTPU)RU\TPU\col\23537 |
| 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 _c20211216 _gRCR |
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| 856 | 4 | _uhttps://doi.org/10.1021/acs.cgd.1c00654 | |
| 942 | _cCF | ||