Comparative study of geometric and QTAIM-based differences between XH⋯Y intramolecular charge-inverted hydrogen bonds, M1⋯(HX) agostic bonds and M2⋯(η2-XH) σ interactions (X </ce:hsp>= </ce:hsp>Si, Ge; Y </ce:hsp>= </ce:hsp>Al, Ga; M1 </ce:hsp>= </ce:hsp>Ti, Co; M2 </ce:hsp>= </ce:hsp>Mn, Fe, C

Comparative study of geometric and QTAIM-based differences between XH⋯Y intramolecular charge-inverted hydrogen bonds, M₁⋯(HX) agostic bonds and M₂⋯(η²-XH) σ interactions (X = Si, Ge; Y = Al, Ga; M₁ = Ti, Co; M₂ = Mn, Fe, C

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作者：Mirosław Jabłoński ^{teojab@chem.uni.torun.pl" class="auth_mail" title="E-mail the corresponding author}
关键词：Charge-inverted hydrogen bond ; Agostic bond ; σσ Interaction ; QTAIM ; Organometallic complexes ; Intramolecular interactions
刊名：Computational and Theoretical Chemistry
出版年：2016
出版时间：15 November 2016
年：2016
卷：1096
期：Complete
页码：54-65
全文大小：1202 K

文摘

class="label">•: Differences between IMCIHBs, agostic bonds and class="mathmlsrc">class="formulatext stixSupport mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S2210271X16303747&_mathId=si5.gif&_user=111111111&_pii=S2210271X16303747&_rdoc=1&_issn=2210271X&md5=fb740cc3e2a3aa9015685678fc12831b" title="Click to view the MathML source">σclass="mathContainer hidden">class="mathCode"> $σ$ interactions are studied.
class="label">•: IMCIHBs feature significantly smaller covalent character than the other interactions.
class="label">•: Some topological differences between IMCIHBs and the other interactions are found.
class="label">•: Influence of the Si class="mathmlsrc">class="formulatext stixSupport mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S2210271X16303747&_mathId=si90.gif&_user=111111111&_pii=S2210271X16303747&_rdoc=1&_issn=2210271X&md5=fc0df80c5e6a2597c5696f4a65e33a2c" title="Click to view the MathML source">→class="mathContainer hidden">class="mathCode"> $\to$ Ge replacement is carefully studied.
class="label">•: Current state of knowledge on the chemistry of germanium is increased.

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