Hirshfeld surface analysis of new organotin(IV)-phosphoramide
complexes

J 2014

Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes

POURAYOUBI, Mehrdad, Samad Shoghpour BAYRAQ, Atekeh TARAHHOMI, Marek NEČAS, Karla FEJFAROVA et. al.

Základní údaje

Originální název

Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes

Autoři

POURAYOUBI, Mehrdad (364 Írán), Samad Shoghpour BAYRAQ (364 Írán), Atekeh TARAHHOMI (364 Írán), Marek NEČAS (203 Česká republika, garant, domácí), Karla FEJFAROVA (203 Česká republika) a Michal DUŠEK (203 Česká republika)

Vydání

Journal of Organometallic Chemistry, Lausanne, Elsevier Science, 2014, 0022-328X

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10402 Inorganic and nuclear chemistry

Stát vydavatele

Švýcarsko

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 2.173

Kód RIV

RIV/00216224:14310/14:00075198

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1016/j.jorganchem.2013.10.009

UT WoS

000329864700050

Klíčová slova anglicky

Organotin(IV)-phosphoramide complexes; Hirshfeld surfaces; Two-dimensional fingerprint plots; Crystal packing

Štítky

AKR, rivok

Změněno: 13. 3. 2018 10:20, doc. Mgr. Marek Nečas, Ph.D.

Anotace

V originále

Hirshfeld surfaces and two-dimensional fingerprint plots are used to study short intermolecular contacts in new organotin(IV)-phosphoramide complexes, (L-1)(2)Cl2Me2Sn (1), (L-2) Cl2Me2Sn (2) and (L-3)(2)Cl2Me2Sn (3) [L-1 = (C5H9NH)(3)PO, L-2 = [(CH3)(3)CNH][C6H5CH2N(CH3)](2)PO and L-3 = (3-F-C6H4C(O)NH)(N(CH3)C6H11)(2)PO]. Twodimensional fingerprint plots of 1 and 2 show pairs of spikes attributed to the intermolecular H...Cl contacts including N-H...Cl hydrogen bonds. Two spikes found in 3 are much shorter comparing with 1 and 2 due to absence of the intermolecular N-H...Cl hydrogen bond and lower contribution of C-H...Cl contacts. In the ligand L-3 the presence of N-H...O=P hydrogen bond is reflected as a deep-red area of Hirshfeld surfaces. Moreover, in fingerprint plot of L-3 two intense spikes are observed related to the intermolecular H/O contacts including N-H...O=P hydrogen bond. The more shallow red spots on the Hirshfeld surface of 3 with respect to L-3 are caused by absence of N-H...O hydrogen bond and the lower contribution of H...O contacts.

Návaznosti

MUNI/A/0980/2009, interní kód MU

Název: Molekulární a supramolekulární stavební bloky pro nanostrukturované materiály (Akronym: MOSTNAMAT)

Investor: Masarykova univerzita, Molekulární a supramolekulární stavební bloky pro nanostrukturované materiály, DO R. 2020_Kategorie A - Specifický výzkum - Studentské výzkumné projekty

Citovat

POURAYOUBI, Mehrdad, Samad Shoghpour BAYRAQ, Atekeh TARAHHOMI, Marek NEČAS, Karla FEJFAROVA a Michal DUŠEK. Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes. Journal of Organometallic Chemistry. Lausanne: Elsevier Science, 2014, roč. 751, February, s. 508-518. ISSN 0022-328X. Dostupné z: https://dx.doi.org/10.1016/j.jorganchem.2013.10.009.

@article{1170209,
   author = {Pourayoubi, Mehrdad and Bayraq, Samad Shoghpour and Tarahhomi, Atekeh and Nečas, Marek and Fejfarova, Karla and Dušek, Michal},
   article_location = {Lausanne},
   article_number = {February},
   doi = {http://dx.doi.org/10.1016/j.jorganchem.2013.10.009},
   keywords = {Organotin(IV)-phosphoramide complexes; Hirshfeld surfaces; Two-dimensional fingerprint plots; Crystal packing},
   language = {eng},
   issn = {0022-328X},
   journal = {Journal of Organometallic Chemistry},
   title = {Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes},
   volume = {751},
   year = {2014}
}

TY  - JOUR
ID  - 1170209
AU  - Pourayoubi, Mehrdad - Bayraq, Samad Shoghpour - Tarahhomi, Atekeh - Nečas, Marek - Fejfarova, Karla - Dušek, Michal
PY  - 2014
TI  - Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes
JF  - Journal of Organometallic Chemistry
VL  - 751
IS  - February
SP  - 508-518
EP  - 508-518
PB  - Elsevier Science
SN  - 0022328X
KW  - Organotin(IV)-phosphoramide complexes
KW  - Hirshfeld surfaces
KW  - Two-dimensional fingerprint plots
KW  - Crystal packing
N2  - Hirshfeld surfaces and two-dimensional fingerprint plots are used to study short intermolecular contacts in new organotin(IV)-phosphoramide complexes, (L-1)(2)Cl2Me2Sn (1), (L-2) Cl2Me2Sn (2) and (L-3)(2)Cl2Me2Sn (3) [L-1 = (C5H9NH)(3)PO, L-2 = [(CH3)(3)CNH][C6H5CH2N(CH3)](2)PO and L-3 = (3-F-C6H4C(O)NH)(N(CH3)C6H11)(2)PO]. Twodimensional fingerprint plots of 1 and 2 show pairs of spikes attributed to the intermolecular H...Cl contacts including N-H...Cl hydrogen bonds. Two spikes found in 3 are much shorter comparing with 1 and 2 due to absence of the intermolecular N-H...Cl hydrogen bond and lower contribution of C-H...Cl contacts. In the ligand L-3 the presence of N-H...O=P hydrogen bond is reflected as a deep-red area of Hirshfeld surfaces. Moreover, in fingerprint plot of L-3 two intense spikes are observed related to the intermolecular H/O contacts including N-H...O=P hydrogen bond. The more shallow red spots on the Hirshfeld surface of 3 with respect to L-3 are caused by absence of N-H...O hydrogen bond and the lower contribution of H...O contacts.
ER  -

POURAYOUBI, Mehrdad, Samad Shoghpour BAYRAQ, Atekeh TARAHHOMI, Marek NEČAS, Karla FEJFAROVA a Michal DUŠEK. Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes. \textit{Journal of Organometallic Chemistry}. Lausanne: Elsevier Science, 2014, roč.~751, February, s.~508-518. ISSN~0022-328X. Dostupné z: https://dx.doi.org/10.1016/j.jorganchem.2013.10.009.

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