- PII
- S3034549925010046-1
- DOI
- 10.7868/S3034549925010046
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 51 / Issue number 1
- Pages
- 32-40
- Abstract
- The reaction of annelated 1,4-dichloro-3a,6a-diaza-1,4-diphosphapentalene (DDPCl2, I) with 2 equivalents of lithium phenyl selenolate (PhSeLi) results in the substitution of the chlorine atoms by the PhSe group and formation of exclusively cis isomer of annelated 1,4-bis(phenylselenyl)-3a,6a-diaza-1,4-diphosphapentalene (II) according to the XRD data. The noncovalent Se···Se interaction (3.968 Е) is observed in the crystal of compound II. The cis-II isomer is by 6.0 kcal/mol thermodynamically more favorable than trans-I according to the DFT/B3LYP/6-31G(d) calculations. The cis-1,4-bis(phenylselenyl) and 1,1-bis(phenylselenyl) isomers (the latter is formed due to the easy migration of the PhSe group) are equilibrated in the solution. Noncovalent N∙∙∙P and Se∙∙∙H interactions participate in the stabilization of the 1,1-isomer. The crystallographic structural information is available at the Cambridge Crystallographic Data Centre (CIF file CCDC no. 2357640).
- Keywords
- диазадифосфапенталены диазафосфолы двухкоординированный фосфор нековалентные взаимодействия селен-селен, азот-фосфор
- Date of publication
- 17.01.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 46
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