Initiation of ethylene polymerization on organoelement cations L2MMe+ (M = Ge, Sn) with intramolecular coordination bonds: a theoretical study

Ab initio (RHF/LanL2DZ, MP2(fc)/LanL2DZ, MP2(fc)/6-31G**, and MP2(fc)/6-311++G**) calculations were performed for a series of β -chalcogenovinylaldehydes, 1,6-dioxa-6a-chalcogenopentalenes, and bimolecular complexes of formaldehyde with chalcogen hydrides and chlorides. The calculations reproduce well the existence and experimentally observed structural peculiarities of the intra- and intermolecular Ο - > chalcogen attractive interactions that stabilize the hypervalent T-shaped bond configuration at a chalcogen atom. These interactions increase in the order S, Se, Te and with the increasing electronegativity of a substituent attached to the chalcogen center. The ab initio calculations performed predict the existence of sufficiently stable bimolecular complexes H2CO . . .XR1R2 (X = S, Se, Te; R1, R2 = H, Cl) with a complexation energy comparable to the energy of a strong hydrogen bond.Key words: ab initio calculations, chalcogen-containing compounds, intramolecular coordination.

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X-ray diffraction study of the first monomeric dioxygermylene Ge(OCH2CH2NMe 2)2 stabilized by two Ge ← N intramolecular coordination bonds: The influence of Ge ← N intramolecular coordination bonds on the structure and packing of molecules in crystals

Crystallography Reports ◽

10.1134/1.1496060 ◽

2002 ◽

Vol 47 (4) ◽

pp. 616-621 ◽

Cited By ~ 5

Author(s):

V. N. Khrustalev ◽

I. V. Borisova ◽

N. N. Zemlyansky ◽

Yu. A. Ustynyuk ◽

M. Yu. Antipin

Keyword(s):

Diffraction Study ◽

Intramolecular Coordination ◽

X Ray Diffraction ◽

X Ray ◽

Coordination Bonds

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Diorganyl ditellurides with intramolecular coordination bonds: synthesis and structure of bis(4,6-dimethylpyrimidin-2-yl) ditelluride

Russian Chemical Bulletin ◽

10.1007/s11172-013-0270-3 ◽

2013 ◽

Vol 62 (8) ◽

pp. 1877-1881 ◽

Cited By ~ 1

Author(s):

A. V. Borisov ◽

Zh. V. Matsulevich ◽

V. K. Osmanov ◽

G. N. Borisova ◽

A. O. Chizhov ◽

...

Keyword(s):

Intramolecular Coordination ◽

Coordination Bonds

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Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes

CrystEngComm ◽

10.1039/d1ce00214g ◽

2021 ◽

Vol 23 (14) ◽

pp. 2703-2710

Author(s):

Tanmoy Basak ◽

Rosa M. Gomila ◽

Antonio Frontera ◽

Shouvik Chattopadhyay

Keyword(s):

Schiff Base ◽

Theoretical Study ◽

Schiff Base Complexes ◽

Coordination Bonds

Two new zinc(ii) complexes have been synthesized and characterized. Theoretical study is devoted to distinguish between conventional coordination bonds and spodium bonds between the zinc and oxygen centers.

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