Crystal Structure and Optical Properties of New Hybrid Halobismuthates of 2,2'-Bipyridinium Derivatives

Balabanova, Sofya P.; Buikin, Petr A.; Ilyukhin, A. B.; Rudenko, A. Yu.; Дороватовский, Павел В.; Korlyukov, Alexander A.; Kotov, Vitalii Yu.

doi:10.1134/s0036023622070038

Cited by 4 publications

(4 citation statements)

References 39 publications

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“…In contrast, for 2,2 -bipyridinium (BiPyH + ), its cis conformer is the low-energy one in the gas phase [3], solution [9], and the solid state [10][11][12][13][14][15][16]. This conformer is planar in the gas phase [3] and, as an exception, in the solid state in the case of non-coordinating anions [17][18][19][20][21][22][23][24][25]. The N .…”

Section: Introductionmentioning

confidence: 99%

“…In contrast, for 2,2′-bipyridinium (BiPyH + ), its cis conformer is the low-energy one in the gas phase [ 3 ], solution [ 9 ], and the solid state [ 10 , 11 , 12 , 13 , 14 , 15 , 16 ]. This conformer is planar in the gas phase [ 3 ] and, as an exception, in the solid state in the case of non-coordinating anions [ 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 ]. The N…N distance in these structures varies from 2.611 Å [ 10 ] to 2.727 Å [ 23 ].…”

Section: Introductionmentioning

confidence: 99%

“…The N…N distance in these structures varies from 2.611 Å [ 10 ] to 2.727 Å [ 23 ]. A detailed examination suggested that the N…N distance is determined more by the crystal packing than by the planarity of the molecule itself [ 25 ].…”

Section: Introductionmentioning

confidence: 99%

“…. N distance is determined more by the crystal packing than by the planarity of the molecule itself [25].…”

Section: Introductionmentioning

confidence: 99%

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Weak, Broken, but Working—Intramolecular Hydrogen Bond in 2,2′-bipyridine

Shenderovich

2023

IJMS

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From an academic and practical point of view, it is desirable to be able to assess the possibility of the proton exchange of a given molecular system just by knowing the positions of the proton acceptor and the proton donor. This study addresses the difference between intramolecular hydrogen bonds in 2,2′-bipyridinium and 1,10-phenanthrolinium. Solid-state 15N NMR and model calculations show that these hydrogen bonds are weak; their energies are 25 kJ/mol and 15 kJ/mol, respectively. Neither these hydrogen bonds nor N-H stretches can be responsible for the fast reversible proton transfer observed for 2,2′-bipyridinium in a polar solvent down to 115 K. This process must have been caused by an external force, which was a fluctuating electric field present in the solution. However, these hydrogen bonds are the grain that tips the scales precisely because they are an integral part of a large system of interactions, including both intramolecular interactions and environmental influence.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…. N distance is determined more by the crystal packing than by the planarity of the molecule itself [25].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Weak, Broken, but Working—Intramolecular Hydrogen Bond in 2,2′-bipyridine

Shenderovich

2023

IJMS

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Structure, Characterizations, Photocurrent Response, and Theoretical Study of One Chained Hybrid Iodoplumbate

Xie,

Wu,

et al. 2024

Cryst. Res. Technol.

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Exploring new haloplumbate hybrids and understanding the structure‐activity relationships are of great significance for further promoting their applications in the photovoltaic fields. Herein, with the in situ‐formed [Hmd]+ (md = 2‐methyl‐1,3‐diazinane) templates, a new organic–inorganic hybrid iodoplumbate, namely [Hmd]PbI3 (1), is successfully constructed and then structurally characterized using multiple technical approaches. X‐ray crystallography studies show that compound 1 features the typical 1D chain‐like motifs of [Pb2I6]n2n−, generating the 3D supermolecular network by the extensive hydrogen bond interactions. Interestingly, compound 1 exhibits the semiconductive behavior, with an optical band gap of 2.72 eV. More attractively, the title compound has good photoelectric switching performances under the alternating light irradiation, whose photocurrent densities compete well with or surpass those of many metal halide counterparts. Further theoretical analyses reveal that the title compound has a more dispersive band structure (especially the value band) that facilitates the transport of charge carriers, which may be the main origin of its excellent optoelectronic performance. Presented in this paper also bring the studies of Hirshfeld surface, X‐ray photoelectron spectroscopy (XPS) as well as thermogravimetric analysis.

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