The Structures of Methylenebis(dichloroarsane) and Methylenebisarsonic Acid – A Combined Theoretical and Experimental Study | Zendy

Betz Richard | Zendy; Klüfers Peter | Zendy; Reichvilser Moritz M. | Zendy; Roeßner Felix W. | Zendy

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The Structures of Methylenebis(dichloroarsane) and Methylenebisarsonic Acid – A Combined Theoretical and Experimental Study

Author(s) -

Betz Richard,

Klüfers Peter,

Reichvilser Moritz M.,

Roeßner Felix W.

Publication year - 2008

Publication title -

zeitschrift für anorganische und allgemeine chemie

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.354

H-Index - 66

eISSN - 1521-3749

pISSN - 0044-2313

DOI - 10.1002/zaac.200700506

Subject(s) - natural bond orbital , molecule , crystallography , diffraction , single crystal , crystal structure , chemistry , materials science , computational chemistry , organic chemistry , physics , optics

Methylenebisarsonic acid ( 3 ) was synthesized according to a published procedure. Its molecular structure and its spectroscopic characteristics were determined by single‐crystal X‐ray diffraction. The first intermediate, methylenebis(dichloroarsane) ( 1 ), was structurally and spectroscopically characterized as well. Both molecules were investigated on the B3LYP/6‐31+G(2d,p) level of theory and subsequent NBO analysis.

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